USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1007 SER OG : rot -160:sc= -0.103 USER MOD Set 1.2: A1012 HIS : no HE2:sc= -3.17 K(o=-3.3,f=-8.7!) USER MOD Set 2.1: A 971 ASN :FLIP amide:sc= -1.08 F(o=-3.8!,f=-2.4) USER MOD Set 2.2: A 994 HIS : no HD1:sc= -1.34 K(o=-2.4,f=-3.6!) USER MOD Set 3.1: A 975 HIS : no HE2:sc= -0.712 K(o=-2.6,f=-4!) USER MOD Set 3.2: A 987 THR OG1 : rot 180:sc= -1.89 USER MOD Set 3.3: A 989 SER OG : rot -160:sc= -0.0295 USER MOD Set 4.1: A 927 SER OG : rot 37:sc= 1.26 USER MOD Set 4.2: A 942 SER OG : rot -130:sc= 0.0262 USER MOD Set 4.3: A 944 THR OG1 : rot 38:sc= 1.04 USER MOD Single : A 901 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-4.1!) USER MOD Single : A 903 GLN :FLIP amide:sc= -0.669 F(o=-3.2!,f=-0.67) USER MOD Single : A 907 HIS :FLIP no HE2:sc= -0.199 F(o=-3.5,f=-0.2) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 914 LYS NZ :NH3+ -137:sc= -0.0992 (180deg=-2.06!) USER MOD Single : A 915 THR OG1 : rot -140:sc= -0.545 USER MOD Single : A 916 GLN :FLIP amide:sc= -1.42! C(o=-6.2!,f=-1.4!) USER MOD Single : A 917 THR OG1 : rot 170:sc= 0 USER MOD Single : A 918 THR OG1 : rot -15:sc= 0.881 USER MOD Single : A 920 SER OG : rot 180:sc= -0.041 USER MOD Single : A 926 THR OG1 : rot -132:sc= -1.6! USER MOD Single : A 929 LYS NZ :NH3+ -162:sc= -0.0451 (180deg=-0.229) USER MOD Single : A 930 TYR OH : rot 165:sc= -0.933 USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot 180:sc= 0 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ -167:sc= -0.0392 (180deg=-0.231) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ -123:sc= -0.547 (180deg=-0.696) USER MOD Single : A 962 SER OG : rot 33:sc= 0.0528 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 973 MET CE :methyl 165:sc= -0.287 (180deg=-0.962) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 981 GLN : amide:sc= -4.08! C(o=-4.1!,f=-4!) USER MOD Single : A 984 SER OG : rot -61:sc= -0.0783 USER MOD Single : A 988 TYR OH : rot 110:sc= -1.01 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 999 HIS :FLIP no HE2:sc= -0.894 F(o=-2,f=-0.89) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot -100:sc= 0.521 USER MOD Single : A1009 ASN :FLIP amide:sc= -0.382 F(o=-2.8!,f=-0.38) USER MOD Single : A1010 THR OG1 : rot 75:sc= 0.22 USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot 90:sc= -2.08! USER MOD Single : A1016 LYS NZ :NH3+ -178:sc= -0.155 (180deg=-0.168) USER MOD Single : A1021 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 37.015 -6.459 -3.525 1.00 0.00 N ATOM 44 CA ALA A 900 35.625 -6.893 -3.449 1.00 0.00 C ATOM 45 C ALA A 900 34.683 -5.702 -3.368 1.00 0.00 C ATOM 46 O ALA A 900 34.890 -4.788 -2.570 1.00 0.00 O ATOM 47 CB ALA A 900 35.417 -7.797 -2.246 1.00 0.00 C ATOM 0 HA ALA A 900 35.399 -7.450 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 900 34.374 -8.112 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 900 36.058 -8.674 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.669 -7.254 -1.335 1.00 0.00 H new ATOM 53 N HIS A 901 33.643 -5.723 -4.195 1.00 0.00 N ATOM 54 CA HIS A 901 32.662 -4.645 -4.216 1.00 0.00 C ATOM 55 C HIS A 901 31.294 -5.170 -4.640 1.00 0.00 C ATOM 56 O HIS A 901 31.175 -5.895 -5.628 1.00 0.00 O ATOM 57 CB HIS A 901 33.104 -3.533 -5.171 1.00 0.00 C ATOM 58 CG HIS A 901 34.459 -2.972 -4.865 1.00 0.00 C ATOM 59 ND1 HIS A 901 35.631 -3.659 -5.103 1.00 0.00 N ATOM 60 CD2 HIS A 901 34.825 -1.787 -4.322 1.00 0.00 C ATOM 61 CE1 HIS A 901 36.658 -2.922 -4.720 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.196 -1.782 -4.244 1.00 0.00 N ATOM 0 H HIS A 901 33.458 -6.475 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 901 32.588 -4.239 -3.207 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.104 -3.921 -6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.372 -2.726 -5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.162 -0.994 -4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 901 37.698 -3.205 -4.785 1.00 0.00 H new ATOM 0 HE2 HIS A 901 36.765 -1.019 -3.877 1.00 0.00 H new ATOM 71 N CYS A 902 30.265 -4.798 -3.886 1.00 0.00 N ATOM 72 CA CYS A 902 28.902 -5.227 -4.182 1.00 0.00 C ATOM 73 C CYS A 902 28.279 -4.346 -5.257 1.00 0.00 C ATOM 74 O CYS A 902 28.299 -3.119 -5.157 1.00 0.00 O ATOM 75 CB CYS A 902 28.050 -5.188 -2.914 1.00 0.00 C ATOM 76 SG CYS A 902 28.203 -3.638 -1.974 1.00 0.00 S ATOM 0 H CYS A 902 30.349 -4.200 -3.064 1.00 0.00 H new ATOM 0 HA CYS A 902 28.939 -6.251 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.005 -5.336 -3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 902 28.334 -6.021 -2.271 1.00 0.00 H new ATOM 81 N GLN A 903 27.729 -4.978 -6.287 1.00 0.00 N ATOM 82 CA GLN A 903 27.102 -4.251 -7.381 1.00 0.00 C ATOM 83 C GLN A 903 25.808 -3.588 -6.934 1.00 0.00 C ATOM 84 O GLN A 903 25.310 -3.833 -5.833 1.00 0.00 O ATOM 85 CB GLN A 903 26.818 -5.179 -8.562 1.00 0.00 C ATOM 86 CG GLN A 903 28.058 -5.852 -9.127 1.00 0.00 C ATOM 87 CD GLN A 903 29.049 -4.875 -9.739 1.00 0.00 C ATOM 88 OE1 GLN A 903 28.674 -3.600 -9.816 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 30.142 -5.265 -10.150 1.00 0.00 N flip ATOM 0 H GLN A 903 27.705 -5.993 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 903 27.801 -3.477 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 903 26.111 -5.947 -8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 903 26.334 -4.606 -9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 903 28.553 -6.411 -8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 903 27.757 -6.575 -9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 903 30.394 -6.251 -10.073 1.00 0.00 H new ATOM 0 HE22 GLN A 903 30.796 -4.603 -10.567 1.00 0.00 H new ATOM 98 N ALA A 904 25.275 -2.748 -7.812 1.00 0.00 N ATOM 99 CA ALA A 904 24.035 -2.031 -7.552 1.00 0.00 C ATOM 100 C ALA A 904 22.946 -2.969 -7.036 1.00 0.00 C ATOM 101 O ALA A 904 22.738 -4.053 -7.581 1.00 0.00 O ATOM 102 CB ALA A 904 23.574 -1.331 -8.819 1.00 0.00 C ATOM 0 H ALA A 904 25.689 -2.545 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 904 24.224 -1.289 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 904 22.646 -0.795 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 904 24.339 -0.625 -9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 904 23.407 -2.070 -9.603 1.00 0.00 H new ATOM 108 N PRO A 905 22.229 -2.559 -5.975 1.00 0.00 N ATOM 109 CA PRO A 905 21.151 -3.364 -5.388 1.00 0.00 C ATOM 110 C PRO A 905 19.966 -3.522 -6.334 1.00 0.00 C ATOM 111 O PRO A 905 19.690 -2.644 -7.153 1.00 0.00 O ATOM 112 CB PRO A 905 20.742 -2.569 -4.146 1.00 0.00 C ATOM 113 CG PRO A 905 21.164 -1.171 -4.433 1.00 0.00 C ATOM 114 CD PRO A 905 22.406 -1.278 -5.268 1.00 0.00 C ATOM 0 HA PRO A 905 21.478 -4.380 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 905 19.668 -2.630 -3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.231 -2.954 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 905 20.382 -0.629 -4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 905 21.360 -0.625 -3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 905 22.496 -0.444 -5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.306 -1.279 -4.653 1.00 0.00 H new ATOM 122 N ASP A 906 19.265 -4.647 -6.215 1.00 0.00 N ATOM 123 CA ASP A 906 18.105 -4.922 -7.057 1.00 0.00 C ATOM 124 C ASP A 906 17.018 -3.877 -6.837 1.00 0.00 C ATOM 125 O ASP A 906 17.130 -3.030 -5.950 1.00 0.00 O ATOM 126 CB ASP A 906 17.566 -6.325 -6.768 1.00 0.00 C ATOM 127 CG ASP A 906 16.308 -6.654 -7.545 1.00 0.00 C ATOM 128 OD1 ASP A 906 16.356 -6.620 -8.792 1.00 0.00 O ATOM 129 OD2 ASP A 906 15.278 -6.951 -6.905 1.00 0.00 O ATOM 0 H ASP A 906 19.481 -5.383 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 906 18.415 -4.873 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 906 18.335 -7.059 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 906 17.360 -6.415 -5.701 1.00 0.00 H new ATOM 134 N HIS A 907 15.974 -3.933 -7.654 1.00 0.00 N ATOM 135 CA HIS A 907 14.876 -2.975 -7.546 1.00 0.00 C ATOM 136 C HIS A 907 13.941 -3.321 -6.388 1.00 0.00 C ATOM 137 O HIS A 907 13.502 -4.461 -6.241 1.00 0.00 O ATOM 138 CB HIS A 907 14.093 -2.877 -8.865 1.00 0.00 C ATOM 139 CG HIS A 907 13.521 -4.171 -9.365 1.00 0.00 C ATOM 140 ND1 HIS A 907 13.594 -5.434 -8.877 1.00 0.00 N flip ATOM 141 CD2 HIS A 907 12.765 -4.257 -10.517 1.00 0.00 C flip ATOM 142 CE1 HIS A 907 12.891 -6.244 -9.731 1.00 0.00 C flip ATOM 143 NE2 HIS A 907 12.400 -5.512 -10.712 1.00 0.00 N flip ATOM 0 H HIS A 907 15.862 -4.626 -8.394 1.00 0.00 H new ATOM 0 HA HIS A 907 15.317 -2.000 -7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 907 13.278 -2.165 -8.734 1.00 0.00 H new ATOM 0 HB3 HIS A 907 14.752 -2.469 -9.631 1.00 0.00 H new ATOM 0 HD1 HIS A 907 14.082 -5.727 -8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 907 12.511 -3.427 -11.160 1.00 0.00 H new ATOM 0 HE1 HIS A 907 12.760 -7.310 -9.618 1.00 0.00 H new ATOM 152 N PHE A 908 13.652 -2.321 -5.561 1.00 0.00 N ATOM 153 CA PHE A 908 12.779 -2.502 -4.406 1.00 0.00 C ATOM 154 C PHE A 908 11.322 -2.235 -4.771 1.00 0.00 C ATOM 155 O PHE A 908 10.428 -2.982 -4.373 1.00 0.00 O ATOM 156 CB PHE A 908 13.214 -1.580 -3.264 1.00 0.00 C ATOM 157 CG PHE A 908 14.550 -1.936 -2.672 1.00 0.00 C ATOM 158 CD1 PHE A 908 15.650 -2.168 -3.483 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.704 -2.044 -1.301 1.00 0.00 C ATOM 160 CE1 PHE A 908 16.876 -2.500 -2.938 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.927 -2.374 -0.749 1.00 0.00 C ATOM 162 CZ PHE A 908 17.014 -2.603 -1.568 1.00 0.00 C ATOM 0 H PHE A 908 14.012 -1.373 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 908 12.862 -3.538 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 908 13.252 -0.555 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.459 -1.609 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 908 15.548 -2.088 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 908 13.857 -1.868 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 908 17.724 -2.678 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 908 16.032 -2.453 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.970 -2.862 -1.138 1.00 0.00 H new ATOM 172 N LEU A 909 11.101 -1.163 -5.532 1.00 0.00 N ATOM 173 CA LEU A 909 9.761 -0.769 -5.972 1.00 0.00 C ATOM 174 C LEU A 909 8.954 -0.135 -4.843 1.00 0.00 C ATOM 175 O LEU A 909 8.280 0.872 -5.053 1.00 0.00 O ATOM 176 CB LEU A 909 9.001 -1.964 -6.545 1.00 0.00 C ATOM 177 CG LEU A 909 9.658 -2.621 -7.758 1.00 0.00 C ATOM 178 CD1 LEU A 909 8.798 -3.767 -8.261 1.00 0.00 C ATOM 179 CD2 LEU A 909 9.887 -1.598 -8.859 1.00 0.00 C ATOM 0 H LEU A 909 11.843 -0.545 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 909 9.892 -0.021 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 909 8.887 -2.713 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 909 7.999 -1.639 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 909 10.627 -3.020 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 909 9.276 -4.228 -9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.683 -4.509 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 909 7.817 -3.387 -8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 909 10.356 -2.083 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 909 8.932 -1.170 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 909 10.538 -0.806 -8.490 1.00 0.00 H new ATOM 191 N PHE A 910 9.020 -0.715 -3.651 1.00 0.00 N ATOM 192 CA PHE A 910 8.285 -0.173 -2.516 1.00 0.00 C ATOM 193 C PHE A 910 9.067 0.955 -1.856 1.00 0.00 C ATOM 194 O PHE A 910 8.603 1.570 -0.895 1.00 0.00 O ATOM 195 CB PHE A 910 7.951 -1.274 -1.499 1.00 0.00 C ATOM 196 CG PHE A 910 9.089 -2.197 -1.158 1.00 0.00 C ATOM 197 CD1 PHE A 910 10.349 -1.704 -0.856 1.00 0.00 C ATOM 198 CD2 PHE A 910 8.889 -3.568 -1.132 1.00 0.00 C ATOM 199 CE1 PHE A 910 11.384 -2.561 -0.536 1.00 0.00 C ATOM 200 CE2 PHE A 910 9.920 -4.429 -0.813 1.00 0.00 C ATOM 201 CZ PHE A 910 11.170 -3.926 -0.515 1.00 0.00 C ATOM 0 H PHE A 910 9.568 -1.551 -3.447 1.00 0.00 H new ATOM 0 HA PHE A 910 7.345 0.236 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.598 -0.804 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 910 7.126 -1.869 -1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.523 -0.638 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 910 7.913 -3.968 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 910 12.361 -2.164 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 910 9.748 -5.495 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 910 11.979 -4.597 -0.266 1.00 0.00 H new ATOM 211 N ALA A 911 10.251 1.230 -2.391 1.00 0.00 N ATOM 212 CA ALA A 911 11.097 2.293 -1.866 1.00 0.00 C ATOM 213 C ALA A 911 12.021 2.843 -2.946 1.00 0.00 C ATOM 214 O ALA A 911 12.717 2.088 -3.626 1.00 0.00 O ATOM 215 CB ALA A 911 11.907 1.791 -0.683 1.00 0.00 C ATOM 0 H ALA A 911 10.646 0.731 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 911 10.450 3.103 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.534 2.598 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.232 1.454 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.538 0.960 -1.000 1.00 0.00 H new ATOM 221 N LYS A 912 12.021 4.161 -3.094 1.00 0.00 N ATOM 222 CA LYS A 912 12.856 4.821 -4.086 1.00 0.00 C ATOM 223 C LYS A 912 14.167 5.296 -3.466 1.00 0.00 C ATOM 224 O LYS A 912 14.174 5.907 -2.396 1.00 0.00 O ATOM 225 CB LYS A 912 12.100 6.001 -4.704 1.00 0.00 C ATOM 226 CG LYS A 912 11.625 7.023 -3.681 1.00 0.00 C ATOM 227 CD LYS A 912 10.714 8.069 -4.307 1.00 0.00 C ATOM 228 CE LYS A 912 11.420 8.849 -5.403 1.00 0.00 C ATOM 229 NZ LYS A 912 10.538 9.888 -6.003 1.00 0.00 N ATOM 0 H LYS A 912 11.449 4.796 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 912 13.095 4.102 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 912 12.747 6.497 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 912 11.238 5.622 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.094 6.513 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 912 12.488 7.515 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 912 9.830 7.582 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.368 8.758 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 912 12.312 9.323 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 912 11.752 8.162 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 11.057 10.397 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 9.698 9.434 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 10.241 10.559 -5.266 1.00 0.00 H new ATOM 243 N LEU A 913 15.273 5.003 -4.146 1.00 0.00 N ATOM 244 CA LEU A 913 16.604 5.389 -3.678 1.00 0.00 C ATOM 245 C LEU A 913 16.612 6.833 -3.182 1.00 0.00 C ATOM 246 O LEU A 913 15.917 7.690 -3.728 1.00 0.00 O ATOM 247 CB LEU A 913 17.624 5.197 -4.811 1.00 0.00 C ATOM 248 CG LEU A 913 19.088 5.527 -4.475 1.00 0.00 C ATOM 249 CD1 LEU A 913 19.324 7.031 -4.475 1.00 0.00 C ATOM 250 CD2 LEU A 913 19.493 4.910 -3.145 1.00 0.00 C ATOM 0 H LEU A 913 15.274 4.495 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 913 16.880 4.751 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 913 17.575 4.160 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.319 5.816 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 913 19.717 5.092 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.367 7.236 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.093 7.436 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.681 7.500 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 913 20.532 5.158 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 913 18.855 5.302 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.382 3.827 -3.197 1.00 0.00 H new ATOM 262 N LYS A 914 17.406 7.096 -2.145 1.00 0.00 N ATOM 263 CA LYS A 914 17.500 8.438 -1.581 1.00 0.00 C ATOM 264 C LYS A 914 18.949 8.776 -1.244 1.00 0.00 C ATOM 265 O LYS A 914 19.390 9.911 -1.422 1.00 0.00 O ATOM 266 CB LYS A 914 16.627 8.555 -0.329 1.00 0.00 C ATOM 267 CG LYS A 914 16.551 9.969 0.226 1.00 0.00 C ATOM 268 CD LYS A 914 15.697 10.038 1.483 1.00 0.00 C ATOM 269 CE LYS A 914 16.281 9.199 2.607 1.00 0.00 C ATOM 270 NZ LYS A 914 15.456 9.274 3.843 1.00 0.00 N ATOM 0 H LYS A 914 17.990 6.400 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 914 17.140 9.148 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 914 15.620 8.211 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 914 17.019 7.891 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 914 17.556 10.326 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 914 16.137 10.635 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 914 15.613 11.075 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 914 14.688 9.692 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 914 16.356 8.161 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 914 17.293 9.539 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 16.078 9.376 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 14.819 10.094 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 14.893 8.404 3.938 1.00 0.00 H new ATOM 284 N THR A 915 19.689 7.777 -0.773 1.00 0.00 N ATOM 285 CA THR A 915 21.094 7.960 -0.429 1.00 0.00 C ATOM 286 C THR A 915 21.917 8.297 -1.669 1.00 0.00 C ATOM 287 O THR A 915 21.653 7.783 -2.754 1.00 0.00 O ATOM 288 CB THR A 915 21.674 6.695 0.238 1.00 0.00 C ATOM 289 OG1 THR A 915 21.212 6.600 1.590 1.00 0.00 O ATOM 290 CG2 THR A 915 23.197 6.702 0.210 1.00 0.00 C ATOM 0 H THR A 915 19.338 6.831 -0.621 1.00 0.00 H new ATOM 0 HA THR A 915 21.149 8.789 0.276 1.00 0.00 H new ATOM 0 HB THR A 915 21.329 5.828 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 915 21.943 6.289 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 915 23.574 5.798 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 915 23.542 6.737 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.567 7.576 0.746 1.00 0.00 H new ATOM 298 N GLN A 916 22.913 9.165 -1.500 1.00 0.00 N ATOM 299 CA GLN A 916 23.770 9.566 -2.612 1.00 0.00 C ATOM 300 C GLN A 916 24.273 8.337 -3.359 1.00 0.00 C ATOM 301 O GLN A 916 24.857 7.434 -2.760 1.00 0.00 O ATOM 302 CB GLN A 916 24.963 10.389 -2.112 1.00 0.00 C ATOM 303 CG GLN A 916 24.577 11.582 -1.251 1.00 0.00 C ATOM 304 CD GLN A 916 24.257 11.205 0.187 1.00 0.00 C ATOM 305 OE1 GLN A 916 24.531 9.957 0.559 1.00 0.00 O flip ATOM 306 NE2 GLN A 916 23.784 12.035 0.964 1.00 0.00 N flip ATOM 0 H GLN A 916 23.145 9.602 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 916 23.179 10.183 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 916 25.624 9.739 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 916 25.532 10.744 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 916 25.392 12.305 -1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 916 23.711 12.075 -1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 916 23.588 12.982 0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 916 23.589 11.775 1.931 1.00 0.00 H new ATOM 315 N THR A 917 24.037 8.307 -4.668 1.00 0.00 N ATOM 316 CA THR A 917 24.458 7.180 -5.494 1.00 0.00 C ATOM 317 C THR A 917 24.718 7.616 -6.933 1.00 0.00 C ATOM 318 O THR A 917 24.020 8.477 -7.469 1.00 0.00 O ATOM 319 CB THR A 917 23.396 6.059 -5.509 1.00 0.00 C ATOM 320 OG1 THR A 917 22.171 6.552 -6.061 1.00 0.00 O ATOM 321 CG2 THR A 917 23.143 5.519 -4.110 1.00 0.00 C ATOM 0 H THR A 917 23.558 9.049 -5.178 1.00 0.00 H new ATOM 0 HA THR A 917 25.379 6.800 -5.052 1.00 0.00 H new ATOM 0 HB THR A 917 23.776 5.246 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 917 21.558 5.804 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 917 22.391 4.732 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 917 24.069 5.113 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 917 22.787 6.325 -3.468 1.00 0.00 H new ATOM 329 N THR A 918 25.727 7.009 -7.552 1.00 0.00 N ATOM 330 CA THR A 918 26.086 7.322 -8.930 1.00 0.00 C ATOM 331 C THR A 918 26.894 6.185 -9.544 1.00 0.00 C ATOM 332 O THR A 918 26.608 5.733 -10.654 1.00 0.00 O ATOM 333 CB THR A 918 26.905 8.625 -9.020 1.00 0.00 C ATOM 334 OG1 THR A 918 26.154 9.716 -8.474 1.00 0.00 O ATOM 335 CG2 THR A 918 27.278 8.935 -10.462 1.00 0.00 C ATOM 0 H THR A 918 26.312 6.295 -7.118 1.00 0.00 H new ATOM 0 HA THR A 918 25.156 7.454 -9.482 1.00 0.00 H new ATOM 0 HB THR A 918 27.821 8.489 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 918 25.212 9.457 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 918 27.855 9.859 -10.498 1.00 0.00 H new ATOM 0 HG22 THR A 918 27.875 8.118 -10.867 1.00 0.00 H new ATOM 0 HG23 THR A 918 26.371 9.050 -11.056 1.00 0.00 H new ATOM 343 N ALA A 919 27.899 5.721 -8.808 1.00 0.00 N ATOM 344 CA ALA A 919 28.747 4.628 -9.267 1.00 0.00 C ATOM 345 C ALA A 919 27.979 3.312 -9.271 1.00 0.00 C ATOM 346 O ALA A 919 26.952 3.181 -8.603 1.00 0.00 O ATOM 347 CB ALA A 919 29.986 4.518 -8.392 1.00 0.00 C ATOM 0 H ALA A 919 28.146 6.087 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 919 29.059 4.842 -10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 919 30.610 3.698 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 919 30.550 5.450 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 919 29.688 4.328 -7.361 1.00 0.00 H new ATOM 353 N SER A 920 28.476 2.338 -10.026 1.00 0.00 N ATOM 354 CA SER A 920 27.828 1.033 -10.111 1.00 0.00 C ATOM 355 C SER A 920 28.285 0.129 -8.971 1.00 0.00 C ATOM 356 O SER A 920 27.469 -0.517 -8.313 1.00 0.00 O ATOM 357 CB SER A 920 28.135 0.375 -11.458 1.00 0.00 C ATOM 358 OG SER A 920 29.530 0.187 -11.627 1.00 0.00 O ATOM 0 H SER A 920 29.323 2.426 -10.587 1.00 0.00 H new ATOM 0 HA SER A 920 26.751 1.180 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 920 27.625 -0.586 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 920 27.748 0.995 -12.266 1.00 0.00 H new ATOM 0 HG SER A 920 29.700 -0.236 -12.494 1.00 0.00 H new ATOM 364 N ASP A 921 29.594 0.094 -8.738 1.00 0.00 N ATOM 365 CA ASP A 921 30.161 -0.723 -7.672 1.00 0.00 C ATOM 366 C ASP A 921 30.135 0.025 -6.341 1.00 0.00 C ATOM 367 O ASP A 921 30.297 1.245 -6.302 1.00 0.00 O ATOM 368 CB ASP A 921 31.595 -1.136 -8.017 1.00 0.00 C ATOM 369 CG ASP A 921 32.500 0.053 -8.287 1.00 0.00 C ATOM 370 OD1 ASP A 921 32.010 1.201 -8.241 1.00 0.00 O ATOM 371 OD2 ASP A 921 33.701 -0.166 -8.550 1.00 0.00 O ATOM 0 H ASP A 921 30.282 0.623 -9.274 1.00 0.00 H new ATOM 0 HA ASP A 921 29.551 -1.621 -7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 921 32.007 -1.722 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 921 31.581 -1.783 -8.894 1.00 0.00 H new ATOM 376 N PHE A 922 29.926 -0.710 -5.251 1.00 0.00 N ATOM 377 CA PHE A 922 29.877 -0.105 -3.923 1.00 0.00 C ATOM 378 C PHE A 922 30.742 -0.871 -2.928 1.00 0.00 C ATOM 379 O PHE A 922 30.720 -2.101 -2.886 1.00 0.00 O ATOM 380 CB PHE A 922 28.438 -0.040 -3.406 1.00 0.00 C ATOM 381 CG PHE A 922 27.580 0.962 -4.121 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.171 0.744 -5.426 1.00 0.00 C ATOM 383 CD2 PHE A 922 27.178 2.122 -3.480 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.377 1.667 -6.079 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.385 3.048 -4.128 1.00 0.00 C ATOM 386 CZ PHE A 922 25.984 2.822 -5.430 1.00 0.00 C ATOM 0 H PHE A 922 29.788 -1.721 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 922 30.270 0.907 -4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.983 -1.026 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.455 0.203 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.476 -0.157 -5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.488 2.304 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.064 1.486 -7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 922 26.078 3.949 -3.617 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.365 3.546 -5.939 1.00 0.00 H new ATOM 396 N PRO A 923 31.516 -0.142 -2.103 1.00 0.00 N ATOM 397 CA PRO A 923 32.391 -0.746 -1.093 1.00 0.00 C ATOM 398 C PRO A 923 31.602 -1.385 0.045 1.00 0.00 C ATOM 399 O PRO A 923 30.578 -0.854 0.476 1.00 0.00 O ATOM 400 CB PRO A 923 33.208 0.438 -0.576 1.00 0.00 C ATOM 401 CG PRO A 923 32.346 1.627 -0.823 1.00 0.00 C ATOM 402 CD PRO A 923 31.590 1.332 -2.087 1.00 0.00 C ATOM 0 HA PRO A 923 32.998 -1.550 -1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.438 0.328 0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 923 34.159 0.522 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.664 1.795 0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.947 2.530 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.598 1.784 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 923 32.108 1.718 -2.965 1.00 0.00 H new ATOM 410 N ILE A 924 32.085 -2.526 0.528 1.00 0.00 N ATOM 411 CA ILE A 924 31.426 -3.236 1.619 1.00 0.00 C ATOM 412 C ILE A 924 31.231 -2.326 2.827 1.00 0.00 C ATOM 413 O ILE A 924 32.005 -1.394 3.048 1.00 0.00 O ATOM 414 CB ILE A 924 32.225 -4.476 2.056 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.693 -5.285 0.847 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.370 -5.328 2.975 1.00 0.00 C ATOM 417 CD1 ILE A 924 31.567 -5.900 0.064 1.00 0.00 C ATOM 0 H ILE A 924 32.931 -2.979 0.181 1.00 0.00 H new ATOM 0 HA ILE A 924 30.455 -3.555 1.241 1.00 0.00 H new ATOM 0 HB ILE A 924 33.115 -4.149 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 924 33.271 -4.637 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 924 33.363 -6.075 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 924 31.934 -6.207 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 924 31.090 -4.747 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.470 -5.643 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 924 31.973 -6.459 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 924 31.002 -6.574 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 924 30.909 -5.114 -0.305 1.00 0.00 H new ATOM 429 N GLY A 925 30.186 -2.599 3.603 1.00 0.00 N ATOM 430 CA GLY A 925 29.897 -1.797 4.777 1.00 0.00 C ATOM 431 C GLY A 925 28.981 -0.631 4.462 1.00 0.00 C ATOM 432 O GLY A 925 28.200 -0.197 5.308 1.00 0.00 O ATOM 0 H GLY A 925 29.532 -3.365 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.435 -2.425 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 925 30.830 -1.421 5.197 1.00 0.00 H new ATOM 436 N THR A 926 29.085 -0.127 3.239 1.00 0.00 N ATOM 437 CA THR A 926 28.271 0.997 2.793 1.00 0.00 C ATOM 438 C THR A 926 26.778 0.721 2.952 1.00 0.00 C ATOM 439 O THR A 926 26.258 -0.266 2.432 1.00 0.00 O ATOM 440 CB THR A 926 28.560 1.326 1.315 1.00 0.00 C ATOM 441 OG1 THR A 926 29.879 1.869 1.182 1.00 0.00 O ATOM 442 CG2 THR A 926 27.539 2.306 0.761 1.00 0.00 C ATOM 0 H THR A 926 29.730 -0.482 2.533 1.00 0.00 H new ATOM 0 HA THR A 926 28.538 1.845 3.423 1.00 0.00 H new ATOM 0 HB THR A 926 28.490 0.401 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 926 29.845 2.679 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 926 27.769 2.519 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.542 1.871 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.573 3.231 1.336 1.00 0.00 H new ATOM 450 N SER A 927 26.091 1.617 3.657 1.00 0.00 N ATOM 451 CA SER A 927 24.651 1.492 3.866 1.00 0.00 C ATOM 452 C SER A 927 23.903 2.326 2.831 1.00 0.00 C ATOM 453 O SER A 927 24.271 3.471 2.569 1.00 0.00 O ATOM 454 CB SER A 927 24.269 1.947 5.277 1.00 0.00 C ATOM 455 OG SER A 927 22.884 1.767 5.513 1.00 0.00 O ATOM 0 H SER A 927 26.509 2.438 4.094 1.00 0.00 H new ATOM 0 HA SER A 927 24.374 0.444 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 927 24.843 1.383 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 927 24.530 2.997 5.407 1.00 0.00 H new ATOM 0 HG SER A 927 22.581 0.947 5.071 1.00 0.00 H new ATOM 461 N LEU A 928 22.859 1.755 2.241 1.00 0.00 N ATOM 462 CA LEU A 928 22.085 2.473 1.234 1.00 0.00 C ATOM 463 C LEU A 928 20.647 2.676 1.703 1.00 0.00 C ATOM 464 O LEU A 928 19.900 1.715 1.874 1.00 0.00 O ATOM 465 CB LEU A 928 22.112 1.706 -0.090 1.00 0.00 C ATOM 466 CG LEU A 928 22.062 2.579 -1.344 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.253 3.526 -1.375 1.00 0.00 C ATOM 468 CD2 LEU A 928 22.039 1.713 -2.595 1.00 0.00 C ATOM 0 H LEU A 928 22.532 0.809 2.439 1.00 0.00 H new ATOM 0 HA LEU A 928 22.535 3.454 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 928 23.018 1.100 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.267 1.018 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 928 21.147 3.171 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 928 23.205 4.142 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.231 4.167 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 928 24.177 2.948 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 928 22.003 2.351 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 928 22.938 1.097 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 928 21.159 1.070 -2.576 1.00 0.00 H new ATOM 480 N LYS A 929 20.271 3.933 1.924 1.00 0.00 N ATOM 481 CA LYS A 929 18.926 4.256 2.394 1.00 0.00 C ATOM 482 C LYS A 929 17.948 4.485 1.244 1.00 0.00 C ATOM 483 O LYS A 929 18.279 5.120 0.236 1.00 0.00 O ATOM 484 CB LYS A 929 18.959 5.487 3.300 1.00 0.00 C ATOM 485 CG LYS A 929 17.590 5.878 3.837 1.00 0.00 C ATOM 486 CD LYS A 929 17.674 7.043 4.804 1.00 0.00 C ATOM 487 CE LYS A 929 18.503 6.692 6.024 1.00 0.00 C ATOM 488 NZ LYS A 929 17.917 5.557 6.788 1.00 0.00 N ATOM 0 H LYS A 929 20.876 4.742 1.786 1.00 0.00 H new ATOM 0 HA LYS A 929 18.572 3.394 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.629 5.294 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.377 6.327 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 929 16.936 6.142 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.138 5.022 4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 929 18.112 7.905 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 929 16.670 7.332 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 929 19.516 6.435 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 929 18.581 7.564 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 18.317 5.542 7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 16.885 5.672 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 18.139 4.663 6.306 1.00 0.00 H new ATOM 502 N TYR A 930 16.732 3.976 1.421 1.00 0.00 N ATOM 503 CA TYR A 930 15.675 4.122 0.429 1.00 0.00 C ATOM 504 C TYR A 930 14.396 4.631 1.084 1.00 0.00 C ATOM 505 O TYR A 930 13.949 4.086 2.094 1.00 0.00 O ATOM 506 CB TYR A 930 15.385 2.786 -0.267 1.00 0.00 C ATOM 507 CG TYR A 930 16.432 2.359 -1.272 1.00 0.00 C ATOM 508 CD1 TYR A 930 17.758 2.184 -0.901 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.085 2.129 -2.596 1.00 0.00 C ATOM 510 CE1 TYR A 930 18.710 1.792 -1.824 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.029 1.737 -3.524 1.00 0.00 C ATOM 512 CZ TYR A 930 18.340 1.571 -3.133 1.00 0.00 C ATOM 513 OH TYR A 930 19.283 1.181 -4.055 1.00 0.00 O ATOM 0 H TYR A 930 16.454 3.454 2.252 1.00 0.00 H new ATOM 0 HA TYR A 930 16.017 4.843 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.290 2.009 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.422 2.856 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.051 2.357 0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.059 2.259 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 930 19.738 1.660 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 930 16.742 1.561 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 930 18.835 0.838 -4.856 1.00 0.00 H new ATOM 523 N GLU A 931 13.802 5.664 0.500 1.00 0.00 N ATOM 524 CA GLU A 931 12.566 6.224 1.029 1.00 0.00 C ATOM 525 C GLU A 931 11.363 5.576 0.353 1.00 0.00 C ATOM 526 O GLU A 931 11.263 5.566 -0.873 1.00 0.00 O ATOM 527 CB GLU A 931 12.530 7.743 0.832 1.00 0.00 C ATOM 528 CG GLU A 931 12.777 8.181 -0.603 1.00 0.00 C ATOM 529 CD GLU A 931 12.540 9.665 -0.810 1.00 0.00 C ATOM 530 OE1 GLU A 931 13.217 10.474 -0.141 1.00 0.00 O ATOM 531 OE2 GLU A 931 11.677 10.018 -1.641 1.00 0.00 O ATOM 0 H GLU A 931 14.155 6.129 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 931 12.525 6.016 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 931 11.559 8.119 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 931 13.280 8.202 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 931 13.803 7.939 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 931 12.124 7.616 -1.269 1.00 0.00 H new ATOM 538 N CYS A 932 10.457 5.030 1.158 1.00 0.00 N ATOM 539 CA CYS A 932 9.266 4.372 0.633 1.00 0.00 C ATOM 540 C CYS A 932 8.511 5.276 -0.332 1.00 0.00 C ATOM 541 O CYS A 932 8.433 6.488 -0.134 1.00 0.00 O ATOM 542 CB CYS A 932 8.335 3.952 1.772 1.00 0.00 C ATOM 543 SG CYS A 932 9.004 2.650 2.855 1.00 0.00 S ATOM 0 H CYS A 932 10.525 5.030 2.176 1.00 0.00 H new ATOM 0 HA CYS A 932 9.597 3.486 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 932 8.105 4.828 2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.394 3.604 1.345 1.00 0.00 H new ATOM 548 N ARG A 933 7.942 4.671 -1.369 1.00 0.00 N ATOM 549 CA ARG A 933 7.175 5.413 -2.360 1.00 0.00 C ATOM 550 C ARG A 933 5.752 5.625 -1.856 1.00 0.00 C ATOM 551 O ARG A 933 5.284 4.869 -1.009 1.00 0.00 O ATOM 552 CB ARG A 933 7.148 4.664 -3.695 1.00 0.00 C ATOM 553 CG ARG A 933 8.523 4.444 -4.304 1.00 0.00 C ATOM 554 CD ARG A 933 8.430 3.749 -5.654 1.00 0.00 C ATOM 555 NE ARG A 933 7.637 4.514 -6.612 1.00 0.00 N ATOM 556 CZ ARG A 933 7.404 4.120 -7.860 1.00 0.00 C ATOM 557 NH1 ARG A 933 7.902 2.971 -8.299 1.00 0.00 N ATOM 558 NH2 ARG A 933 6.673 4.873 -8.669 1.00 0.00 N ATOM 0 H ARG A 933 7.998 3.668 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 933 7.653 6.380 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.667 3.697 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 933 6.533 5.222 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 933 9.028 5.403 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 933 9.131 3.845 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 933 9.433 3.598 -6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 933 7.987 2.762 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 933 7.239 5.402 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 933 8.464 2.389 -7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 933 7.722 2.670 -9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 933 6.288 5.756 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 933 6.495 4.569 -9.626 1.00 0.00 H new ATOM 572 N PRO A 934 5.053 6.663 -2.353 1.00 0.00 N ATOM 573 CA PRO A 934 3.676 6.968 -1.934 1.00 0.00 C ATOM 574 C PRO A 934 2.691 5.860 -2.293 1.00 0.00 C ATOM 575 O PRO A 934 1.779 6.064 -3.097 1.00 0.00 O ATOM 576 CB PRO A 934 3.332 8.249 -2.695 1.00 0.00 C ATOM 577 CG PRO A 934 4.291 8.295 -3.836 1.00 0.00 C ATOM 578 CD PRO A 934 5.547 7.627 -3.353 1.00 0.00 C ATOM 0 HA PRO A 934 3.607 7.070 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.301 8.233 -3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.437 9.126 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.886 7.779 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.488 9.324 -4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 934 6.076 7.129 -4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.241 8.344 -2.913 1.00 0.00 H new ATOM 586 N GLU A 935 2.874 4.692 -1.688 1.00 0.00 N ATOM 587 CA GLU A 935 2.005 3.551 -1.928 1.00 0.00 C ATOM 588 C GLU A 935 2.382 2.397 -1.003 1.00 0.00 C ATOM 589 O GLU A 935 1.807 1.312 -1.080 1.00 0.00 O ATOM 590 CB GLU A 935 2.100 3.110 -3.392 1.00 0.00 C ATOM 591 CG GLU A 935 1.075 2.060 -3.782 1.00 0.00 C ATOM 592 CD GLU A 935 1.182 1.650 -5.237 1.00 0.00 C ATOM 593 OE1 GLU A 935 2.255 1.149 -5.635 1.00 0.00 O ATOM 594 OE2 GLU A 935 0.193 1.828 -5.979 1.00 0.00 O ATOM 0 H GLU A 935 3.625 4.512 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 935 0.977 3.845 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 935 1.975 3.982 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 935 3.099 2.717 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.203 1.181 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.074 2.447 -3.590 1.00 0.00 H new ATOM 601 N TYR A 936 3.368 2.636 -0.135 1.00 0.00 N ATOM 602 CA TYR A 936 3.838 1.610 0.794 1.00 0.00 C ATOM 603 C TYR A 936 4.163 2.204 2.162 1.00 0.00 C ATOM 604 O TYR A 936 4.788 3.260 2.260 1.00 0.00 O ATOM 605 CB TYR A 936 5.079 0.910 0.235 1.00 0.00 C ATOM 606 CG TYR A 936 4.855 0.247 -1.103 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.779 0.993 -2.272 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.719 -1.130 -1.196 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.571 0.385 -3.494 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.513 -1.746 -2.412 1.00 0.00 C ATOM 611 CZ TYR A 936 4.438 -0.985 -3.560 1.00 0.00 C ATOM 612 OH TYR A 936 4.232 -1.596 -4.775 1.00 0.00 O ATOM 0 H TYR A 936 3.854 3.529 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 936 3.034 0.884 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.883 1.639 0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.414 0.159 0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.884 2.067 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.775 -1.730 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.513 0.980 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.411 -2.820 -2.466 1.00 0.00 H new ATOM 0 HH TYR A 936 4.161 -2.565 -4.646 1.00 0.00 H new ATOM 622 N TYR A 937 3.736 1.511 3.215 1.00 0.00 N ATOM 623 CA TYR A 937 3.984 1.963 4.585 1.00 0.00 C ATOM 624 C TYR A 937 5.120 1.174 5.231 1.00 0.00 C ATOM 625 O TYR A 937 5.217 -0.040 5.058 1.00 0.00 O ATOM 626 CB TYR A 937 2.708 1.849 5.435 1.00 0.00 C ATOM 627 CG TYR A 937 2.219 0.431 5.672 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.859 -0.412 6.575 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.110 -0.062 4.994 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.408 -1.699 6.795 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.655 -1.349 5.209 1.00 0.00 C ATOM 632 CZ TYR A 937 1.307 -2.163 6.110 1.00 0.00 C ATOM 633 OH TYR A 937 0.855 -3.444 6.326 1.00 0.00 O ATOM 0 H TYR A 937 3.217 0.635 3.148 1.00 0.00 H new ATOM 0 HA TYR A 937 4.281 3.011 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 937 2.890 2.321 6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 937 1.914 2.415 4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.724 -0.054 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.595 0.572 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.917 -2.339 7.501 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.208 -1.716 4.673 1.00 0.00 H new ATOM 0 HH TYR A 937 0.069 -3.613 5.765 1.00 0.00 H new ATOM 643 N GLY A 938 5.973 1.865 5.985 1.00 0.00 N ATOM 644 CA GLY A 938 7.073 1.191 6.650 1.00 0.00 C ATOM 645 C GLY A 938 8.291 2.070 6.849 1.00 0.00 C ATOM 646 O GLY A 938 9.410 1.563 6.916 1.00 0.00 O ATOM 0 H GLY A 938 5.922 2.871 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.733 0.830 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.358 0.316 6.066 1.00 0.00 H new ATOM 650 N ARG A 939 8.067 3.380 6.951 1.00 0.00 N ATOM 651 CA ARG A 939 9.143 4.363 7.153 1.00 0.00 C ATOM 652 C ARG A 939 10.336 4.111 6.219 1.00 0.00 C ATOM 653 O ARG A 939 10.396 3.094 5.529 1.00 0.00 O ATOM 654 CB ARG A 939 9.597 4.372 8.621 1.00 0.00 C ATOM 655 CG ARG A 939 10.218 3.069 9.093 1.00 0.00 C ATOM 656 CD ARG A 939 10.630 3.140 10.554 1.00 0.00 C ATOM 657 NE ARG A 939 11.631 4.178 10.792 1.00 0.00 N ATOM 658 CZ ARG A 939 12.161 4.431 11.984 1.00 0.00 C ATOM 659 NH1 ARG A 939 11.786 3.727 13.044 1.00 0.00 N ATOM 660 NH2 ARG A 939 13.067 5.390 12.118 1.00 0.00 N ATOM 0 H ARG A 939 7.137 3.794 6.897 1.00 0.00 H new ATOM 0 HA ARG A 939 8.738 5.344 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.319 5.176 8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 939 8.739 4.601 9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 939 9.506 2.255 8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 939 11.089 2.838 8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 939 9.752 3.336 11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 939 11.028 2.174 10.865 1.00 0.00 H new ATOM 0 HE ARG A 939 11.940 4.740 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 939 11.089 2.989 12.945 1.00 0.00 H new ATOM 0 HH12 ARG A 939 12.195 3.924 13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 939 13.358 5.934 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 939 13.473 5.583 13.033 1.00 0.00 H new ATOM 674 N PRO A 940 11.310 5.041 6.168 1.00 0.00 N ATOM 675 CA PRO A 940 12.480 4.892 5.310 1.00 0.00 C ATOM 676 C PRO A 940 13.502 3.929 5.901 1.00 0.00 C ATOM 677 O PRO A 940 14.120 4.217 6.926 1.00 0.00 O ATOM 678 CB PRO A 940 13.073 6.305 5.225 1.00 0.00 C ATOM 679 CG PRO A 940 12.197 7.188 6.061 1.00 0.00 C ATOM 680 CD PRO A 940 11.354 6.295 6.925 1.00 0.00 C ATOM 0 HA PRO A 940 12.211 4.479 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 940 14.099 6.317 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 940 13.100 6.652 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 940 12.800 7.857 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 940 11.568 7.815 5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 940 11.796 6.155 7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 940 10.357 6.708 7.079 1.00 0.00 H new ATOM 688 N PHE A 941 13.684 2.791 5.244 1.00 0.00 N ATOM 689 CA PHE A 941 14.642 1.794 5.702 1.00 0.00 C ATOM 690 C PHE A 941 15.981 1.980 5.000 1.00 0.00 C ATOM 691 O PHE A 941 16.261 3.048 4.453 1.00 0.00 O ATOM 692 CB PHE A 941 14.094 0.385 5.457 1.00 0.00 C ATOM 693 CG PHE A 941 13.799 0.085 4.014 1.00 0.00 C ATOM 694 CD1 PHE A 941 14.824 -0.195 3.124 1.00 0.00 C ATOM 695 CD2 PHE A 941 12.494 0.089 3.548 1.00 0.00 C ATOM 696 CE1 PHE A 941 14.553 -0.469 1.799 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.219 -0.185 2.222 1.00 0.00 C ATOM 698 CZ PHE A 941 13.251 -0.464 1.348 1.00 0.00 C ATOM 0 H PHE A 941 13.182 2.536 4.394 1.00 0.00 H new ATOM 0 HA PHE A 941 14.798 1.924 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 941 14.815 -0.343 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.181 0.255 6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 941 15.847 -0.199 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 941 11.684 0.308 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.361 -0.687 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.198 -0.181 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.038 -0.678 0.311 1.00 0.00 H new ATOM 708 N SER A 942 16.798 0.937 5.010 1.00 0.00 N ATOM 709 CA SER A 942 18.104 0.992 4.368 1.00 0.00 C ATOM 710 C SER A 942 18.785 -0.368 4.359 1.00 0.00 C ATOM 711 O SER A 942 18.696 -1.132 5.319 1.00 0.00 O ATOM 712 CB SER A 942 19.003 2.007 5.071 1.00 0.00 C ATOM 713 OG SER A 942 20.296 2.032 4.492 1.00 0.00 O ATOM 0 H SER A 942 16.581 0.045 5.454 1.00 0.00 H new ATOM 0 HA SER A 942 17.943 1.300 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 942 18.555 2.999 5.009 1.00 0.00 H new ATOM 0 HB3 SER A 942 19.080 1.757 6.129 1.00 0.00 H new ATOM 0 HG SER A 942 20.972 1.950 5.197 1.00 0.00 H new ATOM 719 N ILE A 943 19.486 -0.641 3.269 1.00 0.00 N ATOM 720 CA ILE A 943 20.218 -1.890 3.115 1.00 0.00 C ATOM 721 C ILE A 943 21.660 -1.705 3.558 1.00 0.00 C ATOM 722 O ILE A 943 22.007 -0.674 4.138 1.00 0.00 O ATOM 723 CB ILE A 943 20.185 -2.394 1.661 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.394 -1.229 0.689 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.874 -3.113 1.379 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.311 -1.625 -0.771 1.00 0.00 C ATOM 0 H ILE A 943 19.564 -0.009 2.472 1.00 0.00 H new ATOM 0 HA ILE A 943 19.732 -2.637 3.742 1.00 0.00 H new ATOM 0 HB ILE A 943 20.998 -3.105 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.646 -0.462 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.369 -0.781 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.866 -3.463 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.774 -3.964 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 943 18.042 -2.427 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.469 -0.746 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 943 21.077 -2.369 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.327 -2.045 -0.979 1.00 0.00 H new ATOM 738 N THR A 944 22.500 -2.700 3.304 1.00 0.00 N ATOM 739 CA THR A 944 23.892 -2.615 3.714 1.00 0.00 C ATOM 740 C THR A 944 24.773 -3.648 3.029 1.00 0.00 C ATOM 741 O THR A 944 24.507 -4.850 3.092 1.00 0.00 O ATOM 742 CB THR A 944 24.007 -2.797 5.246 1.00 0.00 C ATOM 743 OG1 THR A 944 23.922 -1.527 5.902 1.00 0.00 O ATOM 744 CG2 THR A 944 25.301 -3.503 5.635 1.00 0.00 C ATOM 0 H THR A 944 22.245 -3.563 2.823 1.00 0.00 H new ATOM 0 HA THR A 944 24.243 -1.627 3.416 1.00 0.00 H new ATOM 0 HB THR A 944 23.177 -3.426 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.271 -0.961 5.437 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.344 -3.612 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.332 -4.488 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.153 -2.914 5.295 1.00 0.00 H new ATOM 752 N CYS A 945 25.860 -3.175 2.425 1.00 0.00 N ATOM 753 CA CYS A 945 26.814 -4.068 1.794 1.00 0.00 C ATOM 754 C CYS A 945 27.456 -4.869 2.917 1.00 0.00 C ATOM 755 O CYS A 945 28.107 -4.303 3.793 1.00 0.00 O ATOM 756 CB CYS A 945 27.858 -3.267 1.015 1.00 0.00 C ATOM 757 SG CYS A 945 28.849 -4.250 -0.151 1.00 0.00 S ATOM 0 H CYS A 945 26.097 -2.185 2.362 1.00 0.00 H new ATOM 0 HA CYS A 945 26.330 -4.731 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 945 27.352 -2.475 0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 945 28.529 -2.783 1.724 1.00 0.00 H new ATOM 762 N LEU A 946 27.187 -6.161 2.954 1.00 0.00 N ATOM 763 CA LEU A 946 27.666 -6.989 4.055 1.00 0.00 C ATOM 764 C LEU A 946 29.103 -7.472 3.942 1.00 0.00 C ATOM 765 O LEU A 946 29.907 -7.214 4.838 1.00 0.00 O ATOM 766 CB LEU A 946 26.699 -8.141 4.266 1.00 0.00 C ATOM 767 CG LEU A 946 25.336 -7.664 4.760 1.00 0.00 C ATOM 768 CD1 LEU A 946 24.367 -8.814 4.933 1.00 0.00 C ATOM 769 CD2 LEU A 946 25.515 -6.902 6.060 1.00 0.00 C ATOM 0 H LEU A 946 26.647 -6.659 2.246 1.00 0.00 H new ATOM 0 HA LEU A 946 27.691 -6.343 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 946 26.575 -8.685 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.121 -8.840 4.988 1.00 0.00 H new ATOM 0 HG LEU A 946 24.905 -7.002 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 946 23.409 -8.432 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 946 24.227 -9.319 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 946 24.767 -9.520 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 946 24.544 -6.559 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 946 25.966 -7.556 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 946 26.164 -6.043 5.892 1.00 0.00 H new ATOM 781 N ASP A 947 29.424 -8.179 2.876 1.00 0.00 N ATOM 782 CA ASP A 947 30.776 -8.709 2.704 1.00 0.00 C ATOM 783 C ASP A 947 30.849 -9.630 1.498 1.00 0.00 C ATOM 784 O ASP A 947 31.812 -9.586 0.731 1.00 0.00 O ATOM 785 CB ASP A 947 31.206 -9.465 3.966 1.00 0.00 C ATOM 786 CG ASP A 947 32.561 -10.134 3.822 1.00 0.00 C ATOM 787 OD1 ASP A 947 32.694 -11.035 2.967 1.00 0.00 O ATOM 788 OD2 ASP A 947 33.491 -9.755 4.565 1.00 0.00 O ATOM 0 H ASP A 947 28.779 -8.402 2.118 1.00 0.00 H new ATOM 0 HA ASP A 947 31.453 -7.871 2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 947 31.237 -8.771 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 947 30.457 -10.220 4.204 1.00 0.00 H new ATOM 793 N ASN A 948 29.822 -10.448 1.318 1.00 0.00 N ATOM 794 CA ASN A 948 29.776 -11.357 0.185 1.00 0.00 C ATOM 795 C ASN A 948 29.244 -10.609 -1.025 1.00 0.00 C ATOM 796 O ASN A 948 28.529 -11.166 -1.859 1.00 0.00 O ATOM 797 CB ASN A 948 28.889 -12.563 0.497 1.00 0.00 C ATOM 798 CG ASN A 948 29.380 -13.348 1.697 1.00 0.00 C ATOM 799 OD1 ASN A 948 30.500 -13.858 1.706 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.540 -13.449 2.720 1.00 0.00 N ATOM 0 H ASN A 948 29.014 -10.500 1.939 1.00 0.00 H new ATOM 0 HA ASN A 948 30.780 -11.725 -0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 948 27.870 -12.223 0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 948 28.854 -13.219 -0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 948 28.814 -13.965 3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 948 27.621 -13.010 2.670 1.00 0.00 H new ATOM 807 N LEU A 949 29.605 -9.330 -1.101 1.00 0.00 N ATOM 808 CA LEU A 949 29.179 -8.467 -2.188 1.00 0.00 C ATOM 809 C LEU A 949 27.668 -8.531 -2.352 1.00 0.00 C ATOM 810 O LEU A 949 27.153 -8.688 -3.459 1.00 0.00 O ATOM 811 CB LEU A 949 29.889 -8.862 -3.481 1.00 0.00 C ATOM 812 CG LEU A 949 31.407 -9.018 -3.350 1.00 0.00 C ATOM 813 CD1 LEU A 949 32.032 -9.319 -4.702 1.00 0.00 C ATOM 814 CD2 LEU A 949 32.024 -7.765 -2.742 1.00 0.00 C ATOM 0 H LEU A 949 30.199 -8.869 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 949 29.449 -7.438 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 949 29.469 -9.802 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 949 29.678 -8.110 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 949 31.609 -9.857 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 949 33.111 -9.426 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 949 31.615 -10.245 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 949 31.819 -8.502 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 949 33.103 -7.895 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 949 31.811 -6.908 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 949 31.600 -7.594 -1.752 1.00 0.00 H new ATOM 826 N VAL A 950 26.967 -8.414 -1.230 1.00 0.00 N ATOM 827 CA VAL A 950 25.514 -8.461 -1.223 1.00 0.00 C ATOM 828 C VAL A 950 24.919 -7.372 -0.345 1.00 0.00 C ATOM 829 O VAL A 950 25.614 -6.452 0.096 1.00 0.00 O ATOM 830 CB VAL A 950 25.000 -9.821 -0.720 1.00 0.00 C ATOM 831 CG1 VAL A 950 24.960 -10.836 -1.845 1.00 0.00 C ATOM 832 CG2 VAL A 950 25.850 -10.317 0.440 1.00 0.00 C ATOM 0 H VAL A 950 27.387 -8.285 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 950 25.200 -8.306 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 950 23.980 -9.690 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 950 24.593 -11.789 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 950 24.295 -10.481 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 950 25.963 -10.970 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 950 25.472 -11.280 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 950 26.883 -10.429 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 950 25.805 -9.598 1.258 1.00 0.00 H new ATOM 842 N TRP A 951 23.623 -7.499 -0.090 1.00 0.00 N ATOM 843 CA TRP A 951 22.900 -6.545 0.732 1.00 0.00 C ATOM 844 C TRP A 951 21.816 -7.255 1.524 1.00 0.00 C ATOM 845 O TRP A 951 21.009 -7.997 0.960 1.00 0.00 O ATOM 846 CB TRP A 951 22.242 -5.465 -0.138 1.00 0.00 C ATOM 847 CG TRP A 951 23.188 -4.724 -1.036 1.00 0.00 C ATOM 848 CD1 TRP A 951 23.743 -5.173 -2.202 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.689 -3.399 -0.839 1.00 0.00 C ATOM 850 NE1 TRP A 951 24.555 -4.204 -2.742 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.539 -3.106 -1.921 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.498 -2.432 0.150 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.197 -1.884 -2.041 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.149 -1.221 0.032 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.991 -0.955 -1.058 1.00 0.00 C ATOM 0 H TRP A 951 23.049 -8.263 -0.446 1.00 0.00 H new ATOM 0 HA TRP A 951 23.615 -6.078 1.410 1.00 0.00 H new ATOM 0 HB2 TRP A 951 21.470 -5.931 -0.751 1.00 0.00 H new ATOM 0 HB3 TRP A 951 21.742 -4.747 0.513 1.00 0.00 H new ATOM 0 HD1 TRP A 951 23.569 -6.147 -2.636 1.00 0.00 H new ATOM 0 HE1 TRP A 951 25.083 -4.288 -3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.852 -2.628 0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.846 -1.678 -2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 24.008 -0.466 0.791 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.487 0.002 -1.123 1.00 0.00 H new ATOM 866 N SER A 952 21.801 -7.020 2.829 1.00 0.00 N ATOM 867 CA SER A 952 20.810 -7.629 3.707 1.00 0.00 C ATOM 868 C SER A 952 19.429 -7.555 3.068 1.00 0.00 C ATOM 869 O SER A 952 19.103 -6.580 2.392 1.00 0.00 O ATOM 870 CB SER A 952 20.797 -6.928 5.067 1.00 0.00 C ATOM 871 OG SER A 952 19.837 -7.508 5.932 1.00 0.00 O ATOM 0 H SER A 952 22.466 -6.410 3.305 1.00 0.00 H new ATOM 0 HA SER A 952 21.076 -8.675 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 952 21.786 -6.992 5.522 1.00 0.00 H new ATOM 0 HB3 SER A 952 20.576 -5.869 4.931 1.00 0.00 H new ATOM 0 HG SER A 952 19.850 -7.043 6.794 1.00 0.00 H new ATOM 877 N SER A 953 18.629 -8.592 3.267 1.00 0.00 N ATOM 878 CA SER A 953 17.296 -8.637 2.684 1.00 0.00 C ATOM 879 C SER A 953 16.319 -7.783 3.485 1.00 0.00 C ATOM 880 O SER A 953 16.039 -8.068 4.650 1.00 0.00 O ATOM 881 CB SER A 953 16.798 -10.077 2.625 1.00 0.00 C ATOM 882 OG SER A 953 15.487 -10.145 2.093 1.00 0.00 O ATOM 0 H SER A 953 18.877 -9.409 3.824 1.00 0.00 H new ATOM 0 HA SER A 953 17.355 -8.234 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 953 17.473 -10.673 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 953 16.810 -10.510 3.625 1.00 0.00 H new ATOM 0 HG SER A 953 15.193 -11.080 2.065 1.00 0.00 H new ATOM 888 N PRO A 954 15.789 -6.716 2.861 1.00 0.00 N ATOM 889 CA PRO A 954 14.839 -5.802 3.496 1.00 0.00 C ATOM 890 C PRO A 954 13.439 -6.403 3.593 1.00 0.00 C ATOM 891 O PRO A 954 12.462 -5.802 3.148 1.00 0.00 O ATOM 892 CB PRO A 954 14.834 -4.574 2.567 1.00 0.00 C ATOM 893 CG PRO A 954 15.921 -4.818 1.568 1.00 0.00 C ATOM 894 CD PRO A 954 16.079 -6.303 1.485 1.00 0.00 C ATOM 0 HA PRO A 954 15.125 -5.569 4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 954 13.868 -4.459 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 954 15.016 -3.658 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.659 -4.399 0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.851 -4.343 1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 954 15.386 -6.748 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 954 17.084 -6.590 1.176 1.00 0.00 H new ATOM 902 N LYS A 955 13.353 -7.594 4.173 1.00 0.00 N ATOM 903 CA LYS A 955 12.076 -8.282 4.327 1.00 0.00 C ATOM 904 C LYS A 955 11.288 -7.700 5.495 1.00 0.00 C ATOM 905 O LYS A 955 11.830 -7.507 6.584 1.00 0.00 O ATOM 906 CB LYS A 955 12.311 -9.780 4.546 1.00 0.00 C ATOM 907 CG LYS A 955 11.033 -10.583 4.726 1.00 0.00 C ATOM 908 CD LYS A 955 10.142 -10.504 3.498 1.00 0.00 C ATOM 909 CE LYS A 955 8.856 -11.293 3.691 1.00 0.00 C ATOM 910 NZ LYS A 955 9.121 -12.735 3.951 1.00 0.00 N ATOM 0 H LYS A 955 14.154 -8.105 4.545 1.00 0.00 H new ATOM 0 HA LYS A 955 11.495 -8.141 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 955 12.863 -10.180 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 955 12.940 -9.914 5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 955 11.283 -11.625 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 955 10.489 -10.212 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 955 9.903 -9.462 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 955 10.680 -10.889 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 955 8.294 -10.872 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 955 8.232 -11.193 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 8.236 -13.273 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 9.815 -13.090 3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 9.497 -12.851 4.914 1.00 0.00 H new ATOM 924 N ASP A 956 10.008 -7.415 5.258 1.00 0.00 N ATOM 925 CA ASP A 956 9.148 -6.845 6.291 1.00 0.00 C ATOM 926 C ASP A 956 9.745 -5.543 6.815 1.00 0.00 C ATOM 927 O ASP A 956 10.351 -5.513 7.887 1.00 0.00 O ATOM 928 CB ASP A 956 8.958 -7.841 7.440 1.00 0.00 C ATOM 929 CG ASP A 956 7.995 -7.334 8.498 1.00 0.00 C ATOM 930 OD1 ASP A 956 7.448 -6.224 8.324 1.00 0.00 O ATOM 931 OD2 ASP A 956 7.782 -8.051 9.498 1.00 0.00 O ATOM 0 H ASP A 956 9.546 -7.569 4.362 1.00 0.00 H new ATOM 0 HA ASP A 956 8.173 -6.633 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 956 8.589 -8.785 7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 956 9.924 -8.046 7.901 1.00 0.00 H new ATOM 936 N VAL A 957 9.583 -4.472 6.043 1.00 0.00 N ATOM 937 CA VAL A 957 10.121 -3.169 6.419 1.00 0.00 C ATOM 938 C VAL A 957 9.260 -2.033 5.884 1.00 0.00 C ATOM 939 O VAL A 957 9.191 -0.961 6.483 1.00 0.00 O ATOM 940 CB VAL A 957 11.557 -2.980 5.891 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.520 -3.942 6.573 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.592 -3.158 4.381 1.00 0.00 C ATOM 0 H VAL A 957 9.084 -4.481 5.154 1.00 0.00 H new ATOM 0 HA VAL A 957 10.124 -3.141 7.509 1.00 0.00 H new ATOM 0 HB VAL A 957 11.878 -1.965 6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.526 -3.788 6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.516 -3.760 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.208 -4.968 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.612 -3.022 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.248 -4.160 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.941 -2.420 3.912 1.00 0.00 H new ATOM 952 N CYS A 958 8.614 -2.270 4.751 1.00 0.00 N ATOM 953 CA CYS A 958 7.764 -1.257 4.132 1.00 0.00 C ATOM 954 C CYS A 958 6.645 -1.906 3.321 1.00 0.00 C ATOM 955 O CYS A 958 6.570 -1.749 2.102 1.00 0.00 O ATOM 956 CB CYS A 958 8.599 -0.336 3.238 1.00 0.00 C ATOM 957 SG CYS A 958 7.690 1.117 2.622 1.00 0.00 S ATOM 0 H CYS A 958 8.661 -3.152 4.241 1.00 0.00 H new ATOM 0 HA CYS A 958 7.311 -0.663 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 958 9.471 0.003 3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 958 8.968 -0.909 2.387 1.00 0.00 H new ATOM 962 N LYS A 959 5.783 -2.642 4.016 1.00 0.00 N ATOM 963 CA LYS A 959 4.662 -3.332 3.384 1.00 0.00 C ATOM 964 C LYS A 959 3.787 -2.369 2.582 1.00 0.00 C ATOM 965 O LYS A 959 3.742 -1.174 2.862 1.00 0.00 O ATOM 966 CB LYS A 959 3.826 -4.050 4.444 1.00 0.00 C ATOM 967 CG LYS A 959 4.614 -5.052 5.282 1.00 0.00 C ATOM 968 CD LYS A 959 5.111 -6.233 4.456 1.00 0.00 C ATOM 969 CE LYS A 959 6.417 -5.920 3.737 1.00 0.00 C ATOM 970 NZ LYS A 959 6.912 -7.085 2.952 1.00 0.00 N ATOM 0 H LYS A 959 5.840 -2.777 5.025 1.00 0.00 H new ATOM 0 HA LYS A 959 5.069 -4.065 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.382 -3.307 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 959 3.004 -4.570 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 959 5.465 -4.549 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 959 3.985 -5.418 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 959 5.254 -7.096 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 959 4.352 -6.508 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 959 6.270 -5.070 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 959 7.172 -5.627 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 7.802 -6.831 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 7.077 -7.889 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 6.203 -7.349 2.238 1.00 0.00 H new ATOM 984 N ARG A 960 3.108 -2.908 1.571 1.00 0.00 N ATOM 985 CA ARG A 960 2.242 -2.116 0.699 1.00 0.00 C ATOM 986 C ARG A 960 1.142 -1.407 1.489 1.00 0.00 C ATOM 987 O ARG A 960 0.456 -2.021 2.307 1.00 0.00 O ATOM 988 CB ARG A 960 1.616 -3.025 -0.366 1.00 0.00 C ATOM 989 CG ARG A 960 1.238 -2.316 -1.659 1.00 0.00 C ATOM 990 CD ARG A 960 0.099 -1.330 -1.463 1.00 0.00 C ATOM 991 NE ARG A 960 -0.316 -0.715 -2.722 1.00 0.00 N ATOM 992 CZ ARG A 960 -0.819 -1.398 -3.748 1.00 0.00 C ATOM 993 NH1 ARG A 960 -0.991 -2.710 -3.659 1.00 0.00 N ATOM 994 NH2 ARG A 960 -1.157 -0.766 -4.864 1.00 0.00 N ATOM 0 H ARG A 960 3.142 -3.900 1.334 1.00 0.00 H new ATOM 0 HA ARG A 960 2.853 -1.351 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 960 2.317 -3.827 -0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.724 -3.492 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 960 2.109 -1.789 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 960 0.951 -3.056 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.751 -1.843 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 960 0.409 -0.553 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 960 -0.214 0.295 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -0.738 -3.201 -2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -1.377 -3.228 -4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 960 -1.032 0.244 -4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 960 -1.542 -1.290 -5.650 1.00 0.00 H new ATOM 1008 N LYS A 961 0.970 -0.113 1.218 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.056 0.690 1.878 1.00 0.00 C ATOM 1010 C LYS A 961 -1.440 0.079 1.684 1.00 0.00 C ATOM 1011 O LYS A 961 -1.799 -0.324 0.579 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.055 2.117 1.322 1.00 0.00 C ATOM 1013 CG LYS A 961 0.907 3.065 2.020 1.00 0.00 C ATOM 1014 CD LYS A 961 0.412 3.433 3.411 1.00 0.00 C ATOM 1015 CE LYS A 961 1.271 4.518 4.040 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.256 5.774 3.240 1.00 0.00 N ATOM 0 H LYS A 961 1.533 0.403 0.541 1.00 0.00 H new ATOM 0 HA LYS A 961 0.175 0.711 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.196 2.080 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -1.064 2.523 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 961 1.890 2.600 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 961 1.026 3.969 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -0.621 3.774 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 961 0.419 2.548 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 961 0.912 4.726 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 961 2.296 4.160 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 2.229 6.031 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 0.692 5.630 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 0.836 6.540 3.804 1.00 0.00 H new ATOM 1030 N SER A 962 -2.219 0.030 2.758 1.00 0.00 N ATOM 1031 CA SER A 962 -3.570 -0.512 2.690 1.00 0.00 C ATOM 1032 C SER A 962 -4.462 0.110 3.755 1.00 0.00 C ATOM 1033 O SER A 962 -4.117 0.133 4.937 1.00 0.00 O ATOM 1034 CB SER A 962 -3.560 -2.034 2.851 1.00 0.00 C ATOM 1035 OG SER A 962 -4.876 -2.558 2.797 1.00 0.00 O ATOM 0 H SER A 962 -1.940 0.358 3.683 1.00 0.00 H new ATOM 0 HA SER A 962 -3.971 -0.265 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 962 -2.953 -2.483 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.097 -2.300 3.801 1.00 0.00 H new ATOM 0 HG SER A 962 -5.418 -2.019 2.183 1.00 0.00 H new ATOM 1041 N CYS A 963 -5.616 0.598 3.325 1.00 0.00 N ATOM 1042 CA CYS A 963 -6.580 1.208 4.227 1.00 0.00 C ATOM 1043 C CYS A 963 -7.410 0.134 4.918 1.00 0.00 C ATOM 1044 O CYS A 963 -7.558 -0.974 4.399 1.00 0.00 O ATOM 1045 CB CYS A 963 -7.482 2.168 3.455 1.00 0.00 C ATOM 1046 SG CYS A 963 -8.159 1.456 1.926 1.00 0.00 S ATOM 0 H CYS A 963 -5.909 0.583 2.348 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.043 1.771 4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.306 2.477 4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -6.916 3.067 3.209 1.00 0.00 H new ATOM 1051 N LYS A 964 -7.937 0.455 6.092 1.00 0.00 N ATOM 1052 CA LYS A 964 -8.737 -0.498 6.851 1.00 0.00 C ATOM 1053 C LYS A 964 -10.024 -0.840 6.110 1.00 0.00 C ATOM 1054 O LYS A 964 -10.677 0.035 5.541 1.00 0.00 O ATOM 1055 CB LYS A 964 -9.068 0.065 8.235 1.00 0.00 C ATOM 1056 CG LYS A 964 -9.880 -0.883 9.102 1.00 0.00 C ATOM 1057 CD LYS A 964 -9.137 -2.187 9.356 1.00 0.00 C ATOM 1058 CE LYS A 964 -9.963 -3.143 10.202 1.00 0.00 C ATOM 1059 NZ LYS A 964 -9.251 -4.429 10.441 1.00 0.00 N ATOM 0 H LYS A 964 -7.826 1.365 6.539 1.00 0.00 H new ATOM 0 HA LYS A 964 -8.152 -1.410 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -8.139 0.309 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -9.620 0.997 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -10.107 -0.402 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -10.833 -1.095 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -8.893 -2.659 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -8.193 -1.977 9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -10.196 -2.674 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -10.912 -3.341 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -9.847 -5.053 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -9.051 -4.890 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -8.357 -4.243 10.939 1.00 0.00 H new ATOM 1073 N THR A 965 -10.377 -2.122 6.120 1.00 0.00 N ATOM 1074 CA THR A 965 -11.583 -2.589 5.450 1.00 0.00 C ATOM 1075 C THR A 965 -12.804 -1.808 5.925 1.00 0.00 C ATOM 1076 O THR A 965 -13.045 -1.692 7.127 1.00 0.00 O ATOM 1077 CB THR A 965 -11.822 -4.091 5.704 1.00 0.00 C ATOM 1078 OG1 THR A 965 -10.682 -4.849 5.284 1.00 0.00 O ATOM 1079 CG2 THR A 965 -13.058 -4.577 4.961 1.00 0.00 C ATOM 0 H THR A 965 -9.843 -2.856 6.586 1.00 0.00 H new ATOM 0 HA THR A 965 -11.438 -2.428 4.382 1.00 0.00 H new ATOM 0 HB THR A 965 -11.979 -4.233 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 965 -10.843 -5.801 5.451 1.00 0.00 H new ATOM 0 HG21 THR A 965 -13.205 -5.639 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 965 -13.931 -4.021 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 965 -12.924 -4.420 3.891 1.00 0.00 H new ATOM 1087 N PRO A 966 -13.597 -1.265 4.987 1.00 0.00 N ATOM 1088 CA PRO A 966 -14.799 -0.500 5.322 1.00 0.00 C ATOM 1089 C PRO A 966 -15.839 -1.363 6.027 1.00 0.00 C ATOM 1090 O PRO A 966 -16.114 -2.484 5.598 1.00 0.00 O ATOM 1091 CB PRO A 966 -15.326 -0.034 3.962 1.00 0.00 C ATOM 1092 CG PRO A 966 -14.735 -0.982 2.977 1.00 0.00 C ATOM 1093 CD PRO A 966 -13.392 -1.360 3.531 1.00 0.00 C ATOM 0 HA PRO A 966 -14.584 0.321 6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.415 -0.060 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -15.025 0.992 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -15.368 -1.861 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.637 -0.517 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -13.099 -2.366 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -12.609 -0.684 3.188 1.00 0.00 H new ATOM 1101 N PRO A 967 -16.436 -0.856 7.120 1.00 0.00 N ATOM 1102 CA PRO A 967 -17.450 -1.600 7.868 1.00 0.00 C ATOM 1103 C PRO A 967 -18.565 -2.095 6.957 1.00 0.00 C ATOM 1104 O PRO A 967 -19.145 -1.320 6.196 1.00 0.00 O ATOM 1105 CB PRO A 967 -17.987 -0.572 8.865 1.00 0.00 C ATOM 1106 CG PRO A 967 -16.877 0.408 9.035 1.00 0.00 C ATOM 1107 CD PRO A 967 -16.175 0.473 7.705 1.00 0.00 C ATOM 0 HA PRO A 967 -17.043 -2.492 8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -18.888 -0.088 8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -18.250 -1.040 9.813 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -17.261 1.387 9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -16.193 0.091 9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -16.571 1.273 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -15.107 0.659 7.822 1.00 0.00 H new ATOM 1115 N ASP A 968 -18.855 -3.389 7.030 1.00 0.00 N ATOM 1116 CA ASP A 968 -19.895 -3.979 6.200 1.00 0.00 C ATOM 1117 C ASP A 968 -21.234 -3.284 6.430 1.00 0.00 C ATOM 1118 O ASP A 968 -21.705 -3.180 7.562 1.00 0.00 O ATOM 1119 CB ASP A 968 -20.012 -5.482 6.477 1.00 0.00 C ATOM 1120 CG ASP A 968 -20.219 -5.797 7.948 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -21.270 -5.411 8.499 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -19.326 -6.432 8.548 1.00 0.00 O ATOM 0 H ASP A 968 -18.386 -4.046 7.653 1.00 0.00 H new ATOM 0 HA ASP A 968 -19.618 -3.840 5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -20.845 -5.888 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -19.109 -5.982 6.127 1.00 0.00 H new ATOM 1127 N PRO A 969 -21.864 -2.792 5.350 1.00 0.00 N ATOM 1128 CA PRO A 969 -23.153 -2.103 5.436 1.00 0.00 C ATOM 1129 C PRO A 969 -24.281 -3.048 5.812 1.00 0.00 C ATOM 1130 O PRO A 969 -24.349 -4.174 5.321 1.00 0.00 O ATOM 1131 CB PRO A 969 -23.363 -1.551 4.024 1.00 0.00 C ATOM 1132 CG PRO A 969 -22.561 -2.447 3.145 1.00 0.00 C ATOM 1133 CD PRO A 969 -21.371 -2.868 3.961 1.00 0.00 C ATOM 0 HA PRO A 969 -23.154 -1.333 6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -24.417 -1.564 3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -23.026 -0.517 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -23.146 -3.312 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -22.249 -1.928 2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -21.045 -3.876 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -20.519 -2.207 3.800 1.00 0.00 H new ATOM 1141 N VAL A 970 -25.164 -2.580 6.684 1.00 0.00 N ATOM 1142 CA VAL A 970 -26.289 -3.371 7.126 1.00 0.00 C ATOM 1143 C VAL A 970 -27.047 -3.943 5.933 1.00 0.00 C ATOM 1144 O VAL A 970 -27.473 -3.204 5.046 1.00 0.00 O ATOM 1145 CB VAL A 970 -27.231 -2.519 7.983 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -27.523 -1.210 7.282 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -28.503 -3.273 8.288 1.00 0.00 C ATOM 0 H VAL A 970 -25.116 -1.649 7.098 1.00 0.00 H new ATOM 0 HA VAL A 970 -25.911 -4.198 7.727 1.00 0.00 H new ATOM 0 HB VAL A 970 -26.744 -2.298 8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -28.193 -0.610 7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -26.592 -0.667 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -27.995 -1.410 6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -29.158 -2.650 8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -29.008 -3.527 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -28.263 -4.187 8.831 1.00 0.00 H new ATOM 1157 N ASN A 971 -27.200 -5.264 5.909 1.00 0.00 N ATOM 1158 CA ASN A 971 -27.892 -5.934 4.816 1.00 0.00 C ATOM 1159 C ASN A 971 -27.201 -5.649 3.484 1.00 0.00 C ATOM 1160 O ASN A 971 -27.849 -5.295 2.498 1.00 0.00 O ATOM 1161 CB ASN A 971 -29.357 -5.491 4.753 1.00 0.00 C ATOM 1162 CG ASN A 971 -30.121 -5.834 6.017 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -30.676 -4.818 6.667 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -30.214 -6.999 6.403 1.00 0.00 N flip ATOM 0 H ASN A 971 -26.853 -5.891 6.635 1.00 0.00 H new ATOM 0 HA ASN A 971 -27.859 -7.007 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -29.401 -4.415 4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -29.841 -5.966 3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -29.771 -7.749 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -30.734 -7.214 7.254 1.00 0.00 H new ATOM 1171 N GLY A 972 -25.879 -5.806 3.462 1.00 0.00 N ATOM 1172 CA GLY A 972 -25.119 -5.564 2.247 1.00 0.00 C ATOM 1173 C GLY A 972 -23.793 -6.299 2.235 1.00 0.00 C ATOM 1174 O GLY A 972 -23.644 -7.323 2.903 1.00 0.00 O ATOM 0 H GLY A 972 -25.321 -6.097 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.710 -5.874 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -24.939 -4.494 2.142 1.00 0.00 H new ATOM 1178 N MET A 973 -22.829 -5.780 1.470 1.00 0.00 N ATOM 1179 CA MET A 973 -21.507 -6.402 1.365 1.00 0.00 C ATOM 1180 C MET A 973 -20.647 -5.696 0.316 1.00 0.00 C ATOM 1181 O MET A 973 -21.118 -5.393 -0.783 1.00 0.00 O ATOM 1182 CB MET A 973 -21.656 -7.882 0.999 1.00 0.00 C ATOM 1183 CG MET A 973 -20.340 -8.593 0.732 1.00 0.00 C ATOM 1184 SD MET A 973 -20.570 -10.337 0.334 1.00 0.00 S ATOM 1185 CE MET A 973 -21.712 -10.225 -1.044 1.00 0.00 C ATOM 0 H MET A 973 -22.939 -4.931 0.915 1.00 0.00 H new ATOM 0 HA MET A 973 -21.011 -6.312 2.332 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.175 -8.395 1.809 1.00 0.00 H new ATOM 0 HB3 MET A 973 -22.287 -7.964 0.114 1.00 0.00 H new ATOM 0 HG2 MET A 973 -19.824 -8.100 -0.092 1.00 0.00 H new ATOM 0 HG3 MET A 973 -19.698 -8.505 1.608 1.00 0.00 H new ATOM 0 HE1 MET A 973 -21.745 -11.180 -1.568 1.00 0.00 H new ATOM 0 HE2 MET A 973 -22.707 -9.980 -0.673 1.00 0.00 H new ATOM 0 HE3 MET A 973 -21.379 -9.446 -1.730 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.381 -5.446 0.654 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.466 -4.789 -0.276 1.00 0.00 C ATOM 1197 C VAL A 974 -17.583 -5.807 -0.988 1.00 0.00 C ATOM 1198 O VAL A 974 -16.871 -6.582 -0.348 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.554 -3.751 0.424 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.635 -4.414 1.444 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -16.726 -3.001 -0.607 1.00 0.00 C ATOM 0 H VAL A 974 -18.970 -5.686 1.556 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.095 -4.269 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.196 -3.048 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.009 -3.657 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -17.236 -4.914 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.002 -5.146 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.089 -2.274 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.105 -3.707 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.389 -2.483 -1.300 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.613 -5.792 -2.314 1.00 0.00 N ATOM 1212 CA HIS A 975 -16.789 -6.705 -3.089 1.00 0.00 C ATOM 1213 C HIS A 975 -15.354 -6.210 -3.100 1.00 0.00 C ATOM 1214 O HIS A 975 -15.038 -5.213 -3.754 1.00 0.00 O ATOM 1215 CB HIS A 975 -17.281 -6.827 -4.531 1.00 0.00 C ATOM 1216 CG HIS A 975 -18.737 -7.135 -4.665 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -19.377 -8.110 -3.932 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -19.673 -6.598 -5.478 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -20.649 -8.160 -4.289 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -20.854 -7.251 -5.225 1.00 0.00 N ATOM 0 H HIS A 975 -18.194 -5.164 -2.869 1.00 0.00 H new ATOM 0 HA HIS A 975 -16.853 -7.687 -2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.070 -5.894 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -16.710 -7.609 -5.032 1.00 0.00 H new ATOM 0 HD1 HIS A 975 -18.939 -8.700 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -19.521 -5.803 -6.193 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -21.393 -8.830 -3.884 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.485 -6.908 -2.388 1.00 0.00 N ATOM 1230 CA VAL A 976 -13.083 -6.538 -2.336 1.00 0.00 C ATOM 1231 C VAL A 976 -12.477 -6.637 -3.727 1.00 0.00 C ATOM 1232 O VAL A 976 -11.591 -5.863 -4.093 1.00 0.00 O ATOM 1233 CB VAL A 976 -12.314 -7.427 -1.342 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -10.835 -7.087 -1.338 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -12.906 -7.272 0.050 1.00 0.00 C ATOM 0 H VAL A 976 -14.727 -7.733 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.005 -5.509 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 976 -12.413 -8.466 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -10.316 -7.730 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -10.423 -7.242 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -10.702 -6.045 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -12.359 -7.903 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.830 -6.231 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -13.954 -7.571 0.035 1.00 0.00 H new ATOM 1245 N ILE A 977 -13.000 -7.586 -4.497 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.577 -7.828 -5.873 1.00 0.00 C ATOM 1247 C ILE A 977 -11.190 -8.461 -5.937 1.00 0.00 C ATOM 1248 O ILE A 977 -10.982 -9.449 -6.643 1.00 0.00 O ATOM 1249 CB ILE A 977 -12.600 -6.537 -6.705 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -13.938 -5.827 -6.506 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -12.382 -6.858 -8.177 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -14.152 -4.666 -7.444 1.00 0.00 C ATOM 0 H ILE A 977 -13.737 -8.216 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 977 -13.294 -8.530 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 977 -11.796 -5.880 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -14.745 -6.547 -6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -14.000 -5.469 -5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -12.400 -5.935 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -11.416 -7.347 -8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -13.173 -7.522 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.122 -4.211 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -13.366 -3.926 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -14.123 -5.020 -8.474 1.00 0.00 H new ATOM 1264 N THR A 978 -10.251 -7.897 -5.187 1.00 0.00 N ATOM 1265 CA THR A 978 -8.886 -8.410 -5.146 1.00 0.00 C ATOM 1266 C THR A 978 -8.265 -8.173 -3.774 1.00 0.00 C ATOM 1267 O THR A 978 -7.886 -9.116 -3.080 1.00 0.00 O ATOM 1268 CB THR A 978 -7.999 -7.749 -6.219 1.00 0.00 C ATOM 1269 OG1 THR A 978 -7.948 -6.332 -6.010 1.00 0.00 O ATOM 1270 CG2 THR A 978 -8.527 -8.039 -7.615 1.00 0.00 C ATOM 0 H THR A 978 -10.410 -7.081 -4.596 1.00 0.00 H new ATOM 0 HA THR A 978 -8.940 -9.480 -5.347 1.00 0.00 H new ATOM 0 HB THR A 978 -6.996 -8.166 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 978 -7.381 -5.920 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 978 -7.883 -7.561 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A 978 -8.537 -9.116 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 978 -9.540 -7.648 -7.709 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.178 -6.902 -3.387 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.617 -6.520 -2.094 1.00 0.00 C ATOM 1280 C ASP A 979 -8.180 -5.169 -1.657 1.00 0.00 C ATOM 1281 O ASP A 979 -9.280 -4.788 -2.056 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.086 -6.437 -2.161 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.427 -7.752 -2.540 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.565 -8.174 -3.706 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.772 -8.357 -1.666 1.00 0.00 O ATOM 0 H ASP A 979 -8.491 -6.115 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 979 -7.893 -7.284 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -5.802 -5.674 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.704 -6.114 -1.193 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.414 -4.441 -0.852 1.00 0.00 N ATOM 1291 CA ILE A 980 -7.837 -3.129 -0.378 1.00 0.00 C ATOM 1292 C ILE A 980 -6.640 -2.215 -0.169 1.00 0.00 C ATOM 1293 O ILE A 980 -6.710 -1.241 0.581 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.632 -3.226 0.937 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -7.920 -4.147 1.926 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.048 -3.715 0.668 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.609 -4.231 3.270 1.00 0.00 C ATOM 0 H ILE A 980 -6.498 -4.737 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.485 -2.711 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 980 -8.692 -2.232 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.853 -5.147 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -6.899 -3.793 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.596 -3.778 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.553 -3.018 -0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.011 -4.700 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -8.051 -4.901 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.652 -3.239 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -9.621 -4.613 3.137 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.548 -2.528 -0.855 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.336 -1.729 -0.770 1.00 0.00 C ATOM 1311 C GLN A 981 -4.468 -0.488 -1.642 1.00 0.00 C ATOM 1312 O GLN A 981 -5.256 -0.474 -2.587 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.122 -2.555 -1.198 1.00 0.00 C ATOM 1314 CG GLN A 981 -2.901 -3.795 -0.346 1.00 0.00 C ATOM 1315 CD GLN A 981 -1.677 -4.586 -0.763 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -1.556 -5.008 -1.912 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -0.763 -4.795 0.178 1.00 0.00 N ATOM 0 H GLN A 981 -5.479 -3.333 -1.478 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.192 -1.417 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.246 -2.856 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.231 -1.928 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -2.798 -3.499 0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -3.781 -4.435 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -0.905 -4.426 1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 981 0.081 -5.325 -0.040 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.702 0.549 -1.322 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.740 1.794 -2.081 1.00 0.00 C ATOM 1328 C VAL A 982 -3.606 1.528 -3.579 1.00 0.00 C ATOM 1329 O VAL A 982 -2.502 1.470 -4.119 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.626 2.755 -1.615 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.471 3.926 -2.572 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -2.911 3.244 -0.205 1.00 0.00 C ATOM 0 H VAL A 982 -3.046 0.552 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.707 2.263 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.684 2.207 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.679 4.584 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.215 3.554 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.408 4.481 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.118 3.921 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -3.866 3.770 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -2.954 2.392 0.474 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.749 1.356 -4.239 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.760 1.087 -5.664 1.00 0.00 C ATOM 1344 C GLY A 983 -5.975 0.280 -6.088 1.00 0.00 C ATOM 1345 O GLY A 983 -6.565 0.537 -7.137 1.00 0.00 O ATOM 0 H GLY A 983 -5.672 1.399 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -4.744 2.030 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -3.854 0.546 -5.937 1.00 0.00 H new ATOM 1349 N SER A 984 -6.339 -0.703 -5.269 1.00 0.00 N ATOM 1350 CA SER A 984 -7.483 -1.565 -5.556 1.00 0.00 C ATOM 1351 C SER A 984 -8.807 -0.854 -5.280 1.00 0.00 C ATOM 1352 O SER A 984 -8.952 -0.145 -4.282 1.00 0.00 O ATOM 1353 CB SER A 984 -7.401 -2.846 -4.725 1.00 0.00 C ATOM 1354 OG SER A 984 -7.390 -2.554 -3.339 1.00 0.00 O ATOM 0 H SER A 984 -5.856 -0.923 -4.398 1.00 0.00 H new ATOM 0 HA SER A 984 -7.449 -1.816 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 984 -8.250 -3.489 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.500 -3.399 -4.991 1.00 0.00 H new ATOM 0 HG SER A 984 -6.608 -2.003 -3.127 1.00 0.00 H new ATOM 1360 N ARG A 985 -9.768 -1.055 -6.177 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.088 -0.446 -6.050 1.00 0.00 C ATOM 1362 C ARG A 985 -12.123 -1.470 -5.584 1.00 0.00 C ATOM 1363 O ARG A 985 -12.286 -2.524 -6.200 1.00 0.00 O ATOM 1364 CB ARG A 985 -11.509 0.150 -7.396 1.00 0.00 C ATOM 1365 CG ARG A 985 -12.934 0.681 -7.426 1.00 0.00 C ATOM 1366 CD ARG A 985 -13.284 1.223 -8.804 1.00 0.00 C ATOM 1367 NE ARG A 985 -14.681 1.635 -8.903 1.00 0.00 N ATOM 1368 CZ ARG A 985 -15.218 2.144 -10.009 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -14.471 2.321 -11.091 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -16.500 2.476 -10.035 1.00 0.00 N ATOM 0 H ARG A 985 -9.656 -1.639 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.034 0.344 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -10.826 0.960 -7.651 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.401 -0.612 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -13.628 -0.115 -7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.048 1.469 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -12.641 2.073 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -13.079 0.459 -9.554 1.00 0.00 H new ATOM 0 HE ARG A 985 -15.276 1.527 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -13.483 2.067 -11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -14.884 2.711 -11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -17.079 2.342 -9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -16.909 2.866 -10.884 1.00 0.00 H new ATOM 1384 N ILE A 986 -12.829 -1.150 -4.502 1.00 0.00 N ATOM 1385 CA ILE A 986 -13.858 -2.041 -3.967 1.00 0.00 C ATOM 1386 C ILE A 986 -15.245 -1.601 -4.421 1.00 0.00 C ATOM 1387 O ILE A 986 -15.618 -0.437 -4.272 1.00 0.00 O ATOM 1388 CB ILE A 986 -13.830 -2.086 -2.427 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.058 -0.689 -1.845 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.510 -2.666 -1.941 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.161 -0.670 -0.336 1.00 0.00 C ATOM 0 H ILE A 986 -12.709 -0.283 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.642 -3.038 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 986 -14.637 -2.732 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.239 -0.038 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -14.972 -0.273 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.503 -2.692 -0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.392 -3.678 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -11.687 -2.044 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.322 0.353 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -14.997 -1.294 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.238 -1.055 0.097 1.00 0.00 H new ATOM 1403 N THR A 987 -16.014 -2.537 -4.964 1.00 0.00 N ATOM 1404 CA THR A 987 -17.364 -2.232 -5.417 1.00 0.00 C ATOM 1405 C THR A 987 -18.384 -2.609 -4.361 1.00 0.00 C ATOM 1406 O THR A 987 -18.318 -3.687 -3.780 1.00 0.00 O ATOM 1407 CB THR A 987 -17.711 -2.939 -6.736 1.00 0.00 C ATOM 1408 OG1 THR A 987 -17.235 -4.290 -6.717 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.117 -2.185 -7.910 1.00 0.00 C ATOM 0 H THR A 987 -15.728 -3.507 -5.100 1.00 0.00 H new ATOM 0 HA THR A 987 -17.397 -1.157 -5.592 1.00 0.00 H new ATOM 0 HB THR A 987 -18.795 -2.955 -6.847 1.00 0.00 H new ATOM 0 HG1 THR A 987 -17.464 -4.729 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.371 -2.698 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.519 -1.172 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 987 -16.033 -2.142 -7.804 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.323 -1.712 -4.111 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.353 -1.955 -3.109 1.00 0.00 C ATOM 1419 C TYR A 988 -21.628 -2.497 -3.741 1.00 0.00 C ATOM 1420 O TYR A 988 -22.052 -2.039 -4.803 1.00 0.00 O ATOM 1421 CB TYR A 988 -20.661 -0.675 -2.329 1.00 0.00 C ATOM 1422 CG TYR A 988 -19.466 -0.106 -1.595 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.427 0.507 -2.286 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.383 -0.171 -0.210 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.339 1.035 -1.617 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.299 0.355 0.466 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.280 0.956 -0.242 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.199 1.482 0.428 1.00 0.00 O ATOM 0 H TYR A 988 -19.395 -0.812 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 988 -19.968 -2.707 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.044 0.077 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.454 -0.881 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.471 0.572 -3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.179 -0.641 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.539 1.507 -2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -18.250 0.296 1.543 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.478 2.281 0.923 1.00 0.00 H new ATOM 1438 N SER A 989 -22.238 -3.471 -3.074 1.00 0.00 N ATOM 1439 CA SER A 989 -23.471 -4.075 -3.561 1.00 0.00 C ATOM 1440 C SER A 989 -24.296 -4.613 -2.399 1.00 0.00 C ATOM 1441 O SER A 989 -23.869 -5.523 -1.687 1.00 0.00 O ATOM 1442 CB SER A 989 -23.161 -5.201 -4.549 1.00 0.00 C ATOM 1443 OG SER A 989 -22.436 -4.715 -5.666 1.00 0.00 O ATOM 0 H SER A 989 -21.898 -3.859 -2.194 1.00 0.00 H new ATOM 0 HA SER A 989 -24.049 -3.307 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 989 -22.585 -5.980 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 989 -24.091 -5.659 -4.886 1.00 0.00 H new ATOM 0 HG SER A 989 -22.522 -5.346 -6.411 1.00 0.00 H new ATOM 1449 N CYS A 990 -25.478 -4.040 -2.213 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.373 -4.449 -1.138 1.00 0.00 C ATOM 1451 C CYS A 990 -27.042 -5.780 -1.452 1.00 0.00 C ATOM 1452 O CYS A 990 -27.335 -6.082 -2.609 1.00 0.00 O ATOM 1453 CB CYS A 990 -27.438 -3.380 -0.897 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.769 -1.775 -0.356 1.00 0.00 S ATOM 0 H CYS A 990 -25.841 -3.286 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 990 -25.774 -4.571 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -28.006 -3.234 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.138 -3.742 -0.144 1.00 0.00 H new ATOM 1459 N THR A 991 -27.295 -6.566 -0.410 1.00 0.00 N ATOM 1460 CA THR A 991 -27.941 -7.850 -0.565 1.00 0.00 C ATOM 1461 C THR A 991 -29.363 -7.666 -1.082 1.00 0.00 C ATOM 1462 O THR A 991 -30.041 -6.706 -0.714 1.00 0.00 O ATOM 1463 CB THR A 991 -27.969 -8.603 0.770 1.00 0.00 C ATOM 1464 OG1 THR A 991 -26.632 -8.856 1.220 1.00 0.00 O ATOM 1465 CG2 THR A 991 -28.720 -9.910 0.637 1.00 0.00 C ATOM 0 H THR A 991 -27.058 -6.328 0.553 1.00 0.00 H new ATOM 0 HA THR A 991 -27.371 -8.435 -1.287 1.00 0.00 H new ATOM 0 HB THR A 991 -28.485 -7.980 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 991 -26.660 -9.336 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 991 -28.726 -10.426 1.597 1.00 0.00 H new ATOM 0 HG22 THR A 991 -29.745 -9.710 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 991 -28.230 -10.537 -0.108 1.00 0.00 H new ATOM 1473 N THR A 992 -29.800 -8.576 -1.947 1.00 0.00 N ATOM 1474 CA THR A 992 -31.137 -8.500 -2.530 1.00 0.00 C ATOM 1475 C THR A 992 -32.182 -8.105 -1.488 1.00 0.00 C ATOM 1476 O THR A 992 -32.321 -8.754 -0.451 1.00 0.00 O ATOM 1477 CB THR A 992 -31.546 -9.840 -3.173 1.00 0.00 C ATOM 1478 OG1 THR A 992 -32.883 -9.752 -3.680 1.00 0.00 O ATOM 1479 CG2 THR A 992 -31.452 -10.979 -2.170 1.00 0.00 C ATOM 0 H THR A 992 -29.249 -9.375 -2.260 1.00 0.00 H new ATOM 0 HA THR A 992 -31.098 -7.731 -3.301 1.00 0.00 H new ATOM 0 HB THR A 992 -30.858 -10.046 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 992 -33.135 -10.606 -4.088 1.00 0.00 H new ATOM 0 HG21 THR A 992 -31.746 -11.912 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 992 -30.426 -11.064 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 992 -32.116 -10.779 -1.329 1.00 0.00 H new ATOM 1487 N GLY A 993 -32.915 -7.032 -1.778 1.00 0.00 N ATOM 1488 CA GLY A 993 -33.940 -6.563 -0.863 1.00 0.00 C ATOM 1489 C GLY A 993 -33.771 -5.100 -0.492 1.00 0.00 C ATOM 1490 O GLY A 993 -34.730 -4.328 -0.536 1.00 0.00 O ATOM 0 H GLY A 993 -32.817 -6.480 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -34.920 -6.707 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -33.917 -7.168 0.043 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.553 -4.720 -0.116 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.263 -3.346 0.274 1.00 0.00 C ATOM 1496 C HIS A 994 -31.552 -2.589 -0.845 1.00 0.00 C ATOM 1497 O HIS A 994 -30.737 -3.154 -1.574 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.401 -3.330 1.538 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.000 -4.088 2.682 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.334 -5.425 2.607 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -32.319 -3.694 3.938 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -32.833 -5.819 3.765 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -32.833 -4.788 4.591 1.00 0.00 N ATOM 0 H HIS A 994 -31.750 -5.347 -0.074 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.212 -2.847 0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.423 -3.752 1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.238 -2.296 1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -32.193 -2.704 4.350 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -33.182 -6.815 3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -33.161 -4.802 5.557 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.866 -1.304 -0.964 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.264 -0.448 -1.978 1.00 0.00 C ATOM 1514 C ARG A 995 -30.032 0.255 -1.416 1.00 0.00 C ATOM 1515 O ARG A 995 -30.003 0.623 -0.244 1.00 0.00 O ATOM 1516 CB ARG A 995 -32.279 0.589 -2.459 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.846 1.443 -1.334 1.00 0.00 C ATOM 1518 CD ARG A 995 -33.849 2.459 -1.851 1.00 0.00 C ATOM 1519 NE ARG A 995 -34.437 3.246 -0.770 1.00 0.00 N ATOM 1520 CZ ARG A 995 -35.341 4.202 -0.961 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -35.757 4.493 -2.187 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -35.830 4.869 0.075 1.00 0.00 N ATOM 0 H ARG A 995 -32.541 -0.829 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.961 -1.069 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -31.804 1.238 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -33.098 0.078 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.326 0.800 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -32.033 1.961 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.357 3.126 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -34.640 1.943 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 995 -34.137 3.051 0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -35.383 3.983 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -36.451 5.227 -2.329 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -35.513 4.649 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -36.524 5.602 -0.072 1.00 0.00 H new ATOM 1536 N LEU A 996 -29.015 0.429 -2.252 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.781 1.082 -1.829 1.00 0.00 C ATOM 1538 C LEU A 996 -27.994 2.584 -1.630 1.00 0.00 C ATOM 1539 O LEU A 996 -28.563 3.259 -2.486 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.676 0.830 -2.863 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.270 1.271 -2.454 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -24.225 0.586 -3.320 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.145 2.775 -2.555 1.00 0.00 C ATOM 0 H LEU A 996 -29.020 0.127 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.477 0.658 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -26.651 -0.236 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.944 1.344 -3.786 1.00 0.00 H new ATOM 0 HG LEU A 996 -25.099 0.978 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -23.230 0.911 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.306 -0.495 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -24.389 0.850 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.140 3.077 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.332 3.087 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -25.873 3.246 -1.894 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.517 3.101 -0.497 1.00 0.00 N ATOM 1556 CA ILE A 997 -27.639 4.525 -0.189 1.00 0.00 C ATOM 1557 C ILE A 997 -26.281 5.219 -0.248 1.00 0.00 C ATOM 1558 O ILE A 997 -25.297 4.720 0.290 1.00 0.00 O ATOM 1559 CB ILE A 997 -28.263 4.759 1.209 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -29.763 4.481 1.192 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -28.009 6.172 1.691 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -30.099 3.017 1.234 1.00 0.00 C ATOM 0 H ILE A 997 -27.043 2.554 0.222 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.299 4.951 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 997 -27.785 4.064 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -30.227 4.977 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -30.196 4.920 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -28.459 6.307 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -26.935 6.347 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -28.450 6.880 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -31.182 2.892 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.664 2.519 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.695 2.577 2.146 1.00 0.00 H new ATOM 1574 N GLY A 998 -26.237 6.382 -0.893 1.00 0.00 N ATOM 1575 CA GLY A 998 -24.992 7.127 -0.991 1.00 0.00 C ATOM 1576 C GLY A 998 -24.261 6.908 -2.304 1.00 0.00 C ATOM 1577 O GLY A 998 -24.836 7.070 -3.379 1.00 0.00 O ATOM 0 H GLY A 998 -27.037 6.821 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -25.203 8.190 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -24.339 6.839 -0.167 1.00 0.00 H new ATOM 1581 N HIS A 999 -22.979 6.558 -2.209 1.00 0.00 N ATOM 1582 CA HIS A 999 -22.149 6.336 -3.390 1.00 0.00 C ATOM 1583 C HIS A 999 -22.424 4.968 -4.016 1.00 0.00 C ATOM 1584 O HIS A 999 -23.579 4.599 -4.225 1.00 0.00 O ATOM 1585 CB HIS A 999 -20.671 6.462 -3.016 1.00 0.00 C ATOM 1586 CG HIS A 999 -20.309 7.802 -2.455 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -19.850 8.153 -1.230 1.00 0.00 N flip ATOM 1588 CD2 HIS A 999 -20.407 8.973 -3.176 1.00 0.00 C flip ATOM 1589 CE1 HIS A 999 -19.681 9.516 -1.236 1.00 0.00 C flip ATOM 1590 NE2 HIS A 999 -20.024 9.987 -2.421 1.00 0.00 N flip ATOM 0 H HIS A 999 -22.492 6.422 -1.323 1.00 0.00 H new ATOM 0 HA HIS A 999 -22.400 7.095 -4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -20.422 5.692 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -20.063 6.271 -3.900 1.00 0.00 H new ATOM 0 HD1 HIS A 999 -19.665 7.523 -0.449 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -20.744 9.049 -4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -19.325 10.107 -0.405 1.00 0.00 H new ATOM 1599 N SER A1000 -21.360 4.224 -4.327 1.00 0.00 N ATOM 1600 CA SER A1000 -21.501 2.905 -4.941 1.00 0.00 C ATOM 1601 C SER A1000 -20.148 2.206 -5.065 1.00 0.00 C ATOM 1602 O SER A1000 -20.071 0.978 -5.034 1.00 0.00 O ATOM 1603 CB SER A1000 -22.146 3.030 -6.322 1.00 0.00 C ATOM 1604 OG SER A1000 -22.288 1.760 -6.935 1.00 0.00 O ATOM 0 H SER A1000 -20.395 4.513 -4.164 1.00 0.00 H new ATOM 0 HA SER A1000 -22.141 2.303 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A1000 -23.123 3.504 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A1000 -21.537 3.676 -6.954 1.00 0.00 H new ATOM 0 HG SER A1000 -22.704 1.867 -7.816 1.00 0.00 H new ATOM 1610 N SER A1001 -19.088 2.994 -5.217 1.00 0.00 N ATOM 1611 CA SER A1001 -17.741 2.450 -5.361 1.00 0.00 C ATOM 1612 C SER A1001 -16.700 3.424 -4.818 1.00 0.00 C ATOM 1613 O SER A1001 -16.900 4.638 -4.845 1.00 0.00 O ATOM 1614 CB SER A1001 -17.446 2.150 -6.831 1.00 0.00 C ATOM 1615 OG SER A1001 -17.574 3.318 -7.623 1.00 0.00 O ATOM 0 H SER A1001 -19.136 4.013 -5.244 1.00 0.00 H new ATOM 0 HA SER A1001 -17.687 1.526 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A1001 -16.437 1.749 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A1001 -18.131 1.383 -7.194 1.00 0.00 H new ATOM 0 HG SER A1001 -18.443 3.313 -8.076 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.589 2.884 -4.325 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.521 3.709 -3.775 1.00 0.00 C ATOM 1623 C ALA A1002 -13.173 2.999 -3.855 1.00 0.00 C ATOM 1624 O ALA A1002 -13.043 1.841 -3.455 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.833 4.084 -2.335 1.00 0.00 C ATOM 0 H ALA A1002 -15.406 1.881 -4.296 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.458 4.618 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.027 4.700 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -15.768 4.642 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -14.928 3.179 -1.736 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.174 3.706 -4.376 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.832 3.153 -4.511 1.00 0.00 C ATOM 1633 C GLU A1003 -9.935 3.622 -3.371 1.00 0.00 C ATOM 1634 O GLU A1003 -9.930 4.803 -3.021 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.218 3.569 -5.850 1.00 0.00 C ATOM 1636 CG GLU A1003 -8.847 2.963 -6.106 1.00 0.00 C ATOM 1637 CD GLU A1003 -8.253 3.404 -7.429 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -8.877 3.137 -8.478 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -7.164 4.016 -7.417 1.00 0.00 O ATOM 0 H GLU A1003 -12.270 4.664 -4.712 1.00 0.00 H new ATOM 0 HA GLU A1003 -10.910 2.066 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -10.891 3.276 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -10.137 4.656 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -8.173 3.244 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -8.926 1.876 -6.092 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.169 2.698 -2.803 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.259 3.030 -1.713 1.00 0.00 C ATOM 1648 C CYS A1004 -7.087 3.846 -2.252 1.00 0.00 C ATOM 1649 O CYS A1004 -6.348 3.378 -3.117 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.749 1.748 -1.052 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.831 2.015 0.496 1.00 0.00 S ATOM 0 H CYS A1004 -9.160 1.716 -3.078 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.791 3.622 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.598 1.096 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.105 1.222 -1.756 1.00 0.00 H new ATOM 1656 N ILE A1005 -6.926 5.073 -1.758 1.00 0.00 N ATOM 1657 CA ILE A1005 -5.844 5.934 -2.229 1.00 0.00 C ATOM 1658 C ILE A1005 -5.203 6.740 -1.110 1.00 0.00 C ATOM 1659 O ILE A1005 -5.789 6.944 -0.045 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.317 6.920 -3.317 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.280 7.960 -2.733 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -6.964 6.166 -4.463 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.581 7.384 -2.223 1.00 0.00 C ATOM 0 H ILE A1005 -7.522 5.488 -1.042 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.105 5.250 -2.646 1.00 0.00 H new ATOM 0 HB ILE A1005 -5.447 7.452 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -6.782 8.481 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.501 8.704 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -7.293 6.873 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.242 5.475 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -7.823 5.607 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -9.204 8.186 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -9.105 6.888 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -8.374 6.662 -1.433 1.00 0.00 H new ATOM 1675 N LEU A1006 -3.993 7.208 -1.387 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.235 8.022 -0.440 1.00 0.00 C ATOM 1677 C LEU A1006 -3.551 9.504 -0.625 1.00 0.00 C ATOM 1678 O LEU A1006 -3.959 9.930 -1.705 1.00 0.00 O ATOM 1679 CB LEU A1006 -1.734 7.787 -0.613 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.251 6.384 -0.244 1.00 0.00 C ATOM 1681 CD1 LEU A1006 0.237 6.244 -0.525 1.00 0.00 C ATOM 1682 CD2 LEU A1006 -1.547 6.083 1.217 1.00 0.00 C ATOM 0 H LEU A1006 -3.510 7.037 -2.269 1.00 0.00 H new ATOM 0 HA LEU A1006 -3.527 7.725 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -1.468 7.985 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -1.196 8.512 -0.003 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.789 5.662 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A1006 0.565 5.240 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A1006 0.425 6.416 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A1006 0.789 6.976 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A1006 -1.196 5.080 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A1006 -1.036 6.810 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A1006 -2.621 6.143 1.390 1.00 0.00 H new ATOM 1694 N SER A1007 -3.361 10.284 0.436 1.00 0.00 N ATOM 1695 CA SER A1007 -3.627 11.719 0.386 1.00 0.00 C ATOM 1696 C SER A1007 -2.711 12.479 1.340 1.00 0.00 C ATOM 1697 O SER A1007 -2.335 13.621 1.075 1.00 0.00 O ATOM 1698 CB SER A1007 -5.089 11.998 0.732 1.00 0.00 C ATOM 1699 OG SER A1007 -5.960 11.391 -0.207 1.00 0.00 O ATOM 0 H SER A1007 -3.025 9.948 1.338 1.00 0.00 H new ATOM 0 HA SER A1007 -3.428 12.065 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A1007 -5.308 11.622 1.731 1.00 0.00 H new ATOM 0 HB3 SER A1007 -5.263 13.074 0.751 1.00 0.00 H new ATOM 0 HG SER A1007 -6.838 11.825 -0.167 1.00 0.00 H new ATOM 1705 N GLY A1008 -2.361 11.842 2.451 1.00 0.00 N ATOM 1706 CA GLY A1008 -1.498 12.473 3.431 1.00 0.00 C ATOM 1707 C GLY A1008 -0.781 11.461 4.301 1.00 0.00 C ATOM 1708 O GLY A1008 -0.922 11.473 5.524 1.00 0.00 O ATOM 0 H GLY A1008 -2.661 10.897 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A1008 -0.763 13.094 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -2.091 13.136 4.061 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.020 10.574 3.663 1.00 0.00 N ATOM 1713 CA ASN A1009 0.715 9.535 4.379 1.00 0.00 C ATOM 1714 C ASN A1009 -0.253 8.631 5.120 1.00 0.00 C ATOM 1715 O ASN A1009 0.086 8.052 6.154 1.00 0.00 O ATOM 1716 CB ASN A1009 1.688 10.157 5.380 1.00 0.00 C ATOM 1717 CG ASN A1009 2.636 11.164 4.749 1.00 0.00 C ATOM 1718 OD1 ASN A1009 2.552 11.330 3.433 1.00 0.00 O flip ATOM 1719 ND2 ASN A1009 3.443 11.785 5.441 1.00 0.00 N flip ATOM 0 H ASN A1009 0.103 10.555 2.651 1.00 0.00 H new ATOM 0 HA ASN A1009 1.278 8.952 3.650 1.00 0.00 H new ATOM 0 HB2 ASN A1009 1.121 10.648 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A1009 2.271 9.365 5.850 1.00 0.00 H new ATOM 0 HD21 ASN A1009 3.477 11.630 6.449 1.00 0.00 H new ATOM 0 HD22 ASN A1009 4.078 12.455 5.007 1.00 0.00 H new ATOM 1726 N THR A1010 -1.464 8.526 4.596 1.00 0.00 N ATOM 1727 CA THR A1010 -2.488 7.709 5.217 1.00 0.00 C ATOM 1728 C THR A1010 -3.435 7.134 4.170 1.00 0.00 C ATOM 1729 O THR A1010 -3.919 7.855 3.296 1.00 0.00 O ATOM 1730 CB THR A1010 -3.294 8.533 6.234 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.404 9.299 7.055 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.131 7.630 7.117 1.00 0.00 C ATOM 0 H THR A1010 -1.760 8.998 3.741 1.00 0.00 H new ATOM 0 HA THR A1010 -1.989 6.888 5.732 1.00 0.00 H new ATOM 0 HB THR A1010 -3.956 9.200 5.682 1.00 0.00 H new ATOM 0 HG1 THR A1010 -2.055 10.056 6.541 1.00 0.00 H new ATOM 0 HG21 THR A1010 -4.692 8.236 7.828 1.00 0.00 H new ATOM 0 HG22 THR A1010 -4.825 7.059 6.500 1.00 0.00 H new ATOM 0 HG23 THR A1010 -3.479 6.945 7.659 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.695 5.836 4.259 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.583 5.171 3.315 1.00 0.00 C ATOM 1742 C ALA A1011 -6.044 5.358 3.707 1.00 0.00 C ATOM 1743 O ALA A1011 -6.431 5.094 4.845 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.244 3.691 3.225 1.00 0.00 C ATOM 0 H ALA A1011 -3.304 5.223 4.975 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.437 5.627 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.915 3.206 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.214 3.573 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.359 3.231 4.206 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.852 5.807 2.752 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.274 6.021 2.991 1.00 0.00 C ATOM 1752 C HIS A1012 -9.045 6.004 1.675 1.00 0.00 C ATOM 1753 O HIS A1012 -8.533 6.429 0.639 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.512 7.343 3.729 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.141 8.559 2.940 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -8.729 8.883 1.736 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.247 9.542 3.196 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -8.212 10.011 1.286 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -7.311 10.433 2.153 1.00 0.00 N ATOM 0 H HIS A1012 -6.546 6.030 1.805 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.637 5.208 3.620 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.565 7.409 4.004 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -7.940 7.337 4.657 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -9.451 8.336 1.266 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.603 9.613 4.060 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -8.481 10.505 0.364 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.270 5.495 1.722 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.107 5.406 0.535 1.00 0.00 C ATOM 1770 C TRP A1013 -11.512 6.789 0.043 1.00 0.00 C ATOM 1771 O TRP A1013 -11.848 7.672 0.834 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.338 4.551 0.827 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.981 3.220 1.413 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.926 2.893 2.738 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.586 2.049 0.693 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -11.538 1.583 2.885 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.324 1.043 1.643 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.436 1.751 -0.664 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -10.919 -0.238 1.277 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -11.032 0.480 -1.025 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.779 -0.500 -0.058 1.00 0.00 C ATOM 0 H TRP A1013 -10.705 5.137 2.572 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.530 4.931 -0.259 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.993 5.085 1.516 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.900 4.400 -0.095 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -12.154 3.566 3.551 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -11.427 1.093 3.773 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.632 2.500 -1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.723 -0.997 2.020 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.909 0.239 -2.071 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.466 -1.485 -0.373 1.00 0.00 H new ATOM 1792 N SER A1014 -11.463 6.967 -1.271 1.00 0.00 N ATOM 1793 CA SER A1014 -11.807 8.237 -1.897 1.00 0.00 C ATOM 1794 C SER A1014 -13.199 8.706 -1.492 1.00 0.00 C ATOM 1795 O SER A1014 -13.474 9.907 -1.465 1.00 0.00 O ATOM 1796 CB SER A1014 -11.723 8.108 -3.416 1.00 0.00 C ATOM 1797 OG SER A1014 -12.662 7.165 -3.901 1.00 0.00 O ATOM 0 H SER A1014 -11.185 6.239 -1.930 1.00 0.00 H new ATOM 0 HA SER A1014 -11.091 8.983 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.907 9.078 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A1014 -10.716 7.804 -3.703 1.00 0.00 H new ATOM 0 HG SER A1014 -12.589 7.102 -4.876 1.00 0.00 H new ATOM 1803 N THR A1015 -14.078 7.759 -1.187 1.00 0.00 N ATOM 1804 CA THR A1015 -15.443 8.094 -0.796 1.00 0.00 C ATOM 1805 C THR A1015 -15.934 7.220 0.354 1.00 0.00 C ATOM 1806 O THR A1015 -15.684 6.015 0.385 1.00 0.00 O ATOM 1807 CB THR A1015 -16.418 7.951 -1.980 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.428 6.597 -2.448 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.031 8.882 -3.118 1.00 0.00 C ATOM 0 H THR A1015 -13.873 6.760 -1.202 1.00 0.00 H new ATOM 0 HA THR A1015 -15.421 9.133 -0.468 1.00 0.00 H new ATOM 0 HB THR A1015 -17.415 8.223 -1.633 1.00 0.00 H new ATOM 0 HG1 THR A1015 -17.114 6.089 -1.966 1.00 0.00 H new ATOM 0 HG21 THR A1015 -16.735 8.762 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A1015 -16.055 9.914 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A1015 -15.026 8.638 -3.461 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.636 7.846 1.294 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.175 7.147 2.456 1.00 0.00 C ATOM 1819 C LYS A1016 -18.087 6.002 2.014 1.00 0.00 C ATOM 1820 O LYS A1016 -18.913 6.169 1.116 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.933 8.143 3.346 1.00 0.00 C ATOM 1822 CG LYS A1016 -18.403 7.578 4.680 1.00 0.00 C ATOM 1823 CD LYS A1016 -19.654 6.730 4.527 1.00 0.00 C ATOM 1824 CE LYS A1016 -20.155 6.225 5.871 1.00 0.00 C ATOM 1825 NZ LYS A1016 -19.136 5.392 6.568 1.00 0.00 N ATOM 0 H LYS A1016 -16.846 8.844 1.273 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.355 6.716 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -17.289 9.001 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.800 8.512 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -17.608 6.976 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -18.602 8.397 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -20.435 7.317 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -19.442 5.883 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -20.422 7.074 6.501 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -21.063 5.640 5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -19.529 5.040 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -18.874 4.586 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -18.292 5.967 6.763 1.00 0.00 H new ATOM 1839 N PRO A1017 -17.938 4.814 2.631 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.744 3.634 2.286 1.00 0.00 C ATOM 1841 C PRO A1017 -20.247 3.898 2.359 1.00 0.00 C ATOM 1842 O PRO A1017 -20.755 4.364 3.377 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.335 2.601 3.340 1.00 0.00 C ATOM 1844 CG PRO A1017 -16.977 3.023 3.780 1.00 0.00 C ATOM 1845 CD PRO A1017 -16.966 4.523 3.701 1.00 0.00 C ATOM 0 HA PRO A1017 -18.566 3.316 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.035 2.589 4.175 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -18.320 1.594 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -16.773 2.684 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.207 2.592 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -17.261 4.978 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -15.975 4.906 3.459 1.00 0.00 H new ATOM 1853 N PRO A1018 -20.982 3.598 1.271 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.437 3.804 1.210 1.00 0.00 C ATOM 1855 C PRO A1018 -23.190 3.014 2.279 1.00 0.00 C ATOM 1856 O PRO A1018 -22.625 2.639 3.306 1.00 0.00 O ATOM 1857 CB PRO A1018 -22.813 3.295 -0.187 1.00 0.00 C ATOM 1858 CG PRO A1018 -21.546 3.337 -0.969 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.454 3.041 0.014 1.00 0.00 C ATOM 0 HA PRO A1018 -22.702 4.846 1.389 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -23.216 2.283 -0.143 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -23.579 3.923 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -21.558 2.602 -1.774 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.403 4.314 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.263 1.971 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -19.514 3.512 -0.273 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.472 2.765 2.026 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.306 2.022 2.965 1.00 0.00 C ATOM 1869 C ILE A1019 -26.232 1.057 2.228 1.00 0.00 C ATOM 1870 O ILE A1019 -26.023 0.740 1.057 1.00 0.00 O ATOM 1871 CB ILE A1019 -26.192 2.962 3.815 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -25.556 4.341 3.974 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -26.446 2.352 5.187 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -26.468 5.333 4.667 1.00 0.00 C ATOM 0 H ILE A1019 -24.955 3.067 1.180 1.00 0.00 H new ATOM 0 HA ILE A1019 -24.622 1.476 3.614 1.00 0.00 H new ATOM 0 HB ILE A1019 -27.140 3.083 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -24.631 4.246 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -25.287 4.727 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -27.071 3.025 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -26.953 1.394 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -25.496 2.200 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -25.962 6.295 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -27.382 5.454 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -26.716 4.965 5.662 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.270 0.625 2.932 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.277 -0.281 2.399 1.00 0.00 C ATOM 1888 C CYS A1020 -29.563 -0.093 3.195 1.00 0.00 C ATOM 1889 O CYS A1020 -29.520 0.069 4.414 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.810 -1.735 2.493 1.00 0.00 C ATOM 1891 SG CYS A1020 -26.270 -2.092 1.584 1.00 0.00 S ATOM 0 H CYS A1020 -27.438 0.897 3.901 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.447 -0.054 1.346 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -27.665 -1.990 3.543 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -28.600 -2.383 2.113 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.700 -0.082 2.515 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.970 0.126 3.198 1.00 0.00 C ATOM 1898 C GLN A1021 -33.114 -0.562 2.462 1.00 0.00 C ATOM 1899 O GLN A1021 -33.223 -0.466 1.243 1.00 0.00 O ATOM 1900 CB GLN A1021 -32.247 1.627 3.304 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.884 2.049 4.614 1.00 0.00 C ATOM 1902 CD GLN A1021 -33.119 3.547 4.705 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -32.685 4.285 3.687 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -33.682 4.036 5.684 1.00 0.00 N flip ATOM 0 H GLN A1021 -30.771 -0.212 1.506 1.00 0.00 H new ATOM 0 HA GLN A1021 -31.902 -0.311 4.194 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -31.309 2.168 3.178 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -32.900 1.924 2.483 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.835 1.530 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -32.245 1.736 5.440 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.999 3.434 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.831 5.044 5.736 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.965 -1.253 3.217 1.00 0.00 N ATOM 1914 CA ARG A1022 -35.103 -1.961 2.641 1.00 0.00 C ATOM 1915 C ARG A1022 -35.841 -1.086 1.647 1.00 0.00 C ATOM 1916 O ARG A1022 -36.205 0.053 1.942 1.00 0.00 O ATOM 1917 CB ARG A1022 -36.061 -2.416 3.745 1.00 0.00 C ATOM 1918 CG ARG A1022 -37.291 -3.144 3.226 1.00 0.00 C ATOM 1919 CD ARG A1022 -36.923 -4.462 2.562 1.00 0.00 C ATOM 1920 NE ARG A1022 -38.101 -5.193 2.099 1.00 0.00 N ATOM 1921 CZ ARG A1022 -39.047 -5.662 2.911 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -38.948 -5.492 4.222 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -40.091 -6.308 2.408 1.00 0.00 N ATOM 0 H ARG A1022 -33.887 -1.337 4.231 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.723 -2.836 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -35.525 -3.071 4.432 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -36.380 -1.546 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -37.979 -3.331 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.815 -2.510 2.511 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -36.261 -4.269 1.717 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -36.368 -5.080 3.267 1.00 0.00 H new ATOM 0 HE ARG A1022 -38.205 -5.353 1.097 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -38.145 -5.000 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -39.675 -5.853 4.839 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -40.169 -6.445 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -40.816 -6.668 3.029 1.00 0.00 H new ATOM 1937 N ILE A1023 -36.050 -1.633 0.461 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.735 -0.920 -0.596 1.00 0.00 C ATOM 1939 C ILE A1023 -38.236 -0.856 -0.329 1.00 0.00 C ATOM 1940 O ILE A1023 -38.880 -1.880 -0.101 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.484 -1.587 -1.957 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -34.981 -1.691 -2.225 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -37.169 -0.798 -3.051 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -34.643 -2.335 -3.551 1.00 0.00 C ATOM 0 H ILE A1023 -35.752 -2.575 0.208 1.00 0.00 H new ATOM 0 HA ILE A1023 -36.337 0.095 -0.618 1.00 0.00 H new ATOM 0 HB ILE A1023 -36.899 -2.595 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.546 -0.692 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.517 -2.265 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -36.987 -1.277 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -38.241 -0.765 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -36.773 0.217 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -33.560 -2.374 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -35.048 -3.347 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -35.077 -1.749 -4.361 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.813 0.357 -0.350 1.00 0.00 N ATOM 1957 CA PRO A1024 -40.243 0.559 -0.105 1.00 0.00 C ATOM 1958 C PRO A1024 -41.107 0.115 -1.282 1.00 0.00 C ATOM 1959 O PRO A1024 -41.068 0.789 -2.332 1.00 0.00 O ATOM 1960 CB PRO A1024 -40.338 2.070 0.101 1.00 0.00 C ATOM 1961 CG PRO A1024 -39.243 2.619 -0.738 1.00 0.00 C ATOM 1962 CD PRO A1024 -38.116 1.634 -0.609 1.00 0.00 C ATOM 1963 OXT PRO A1024 -41.814 -0.905 -1.143 1.00 0.00 O ATOM 0 HA PRO A1024 -40.608 -0.028 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -41.309 2.454 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.210 2.338 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -39.557 2.724 -1.776 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.942 3.609 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.515 1.588 -1.517 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -37.442 1.898 0.206 1.00 0.00 H new